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emSynthesis
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emical database
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Cas Number
EINECS Number
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Smiles
Journal Title
GO
The Journal of Organic Chemistry - 9504 compounds - page 79
3-methyloctane
Molecular Formula:
C
9
H
20
Molecular Weight:
128.258 g/mol
Cas Number:
2216-33-3
EINECS Number:
-
4-methyl-4-phenyl-2-pentanone
Molecular Formula:
C
12
H
16
O
Molecular Weight:
176.258 g/mol
Cas Number:
7403-42-1
EINECS Number:
231-007-9
2-methyl-4a,5,6,7,8,8a-hexahydro-4H-chromen-4-one
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
-
EINECS Number:
-
difluoroacetyl fluoride
Molecular Formula:
C
2
HF
3
O
Molecular Weight:
98.025 g/mol
Cas Number:
2925-22-6
EINECS Number:
-
Methyl cyclohexanecarboxylate
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
4630-82-4
EINECS Number:
225-050-2
3-ethyl-1,2,5,6-tetrahydro-pyridine-1-carboxylic acid methyl ester
Molecular Formula:
C
9
H
15
NO
2
Molecular Weight:
169.224 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-1,6-dihydro-pyridine-1-carboxylic acid methyl ester
Molecular Formula:
C
9
H
13
NO
2
Molecular Weight:
167.208 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-oxo-5,6-dihydro-3H-benzo[f]chromene-2-carboxylate
Molecular Formula:
C
15
H
12
O
4
Molecular Weight:
256.258 g/mol
Cas Number:
-
EINECS Number:
-
methyl 8-oxo-8H-acenaphtho[1,2-b]pyran-9-carboxylate
Molecular Formula:
C
17
H
10
O
4
Molecular Weight:
278.264 g/mol
Cas Number:
-
EINECS Number:
-
2-methylsulfanyl-4-phenylmethoxycyclohexan-1-one
Molecular Formula:
C
14
H
18
O
2
S
Molecular Weight:
250.362 g/mol
Cas Number:
-
EINECS Number:
-
2-methylsulfinyl-4-phenylmethoxycyclohexan-1-one
Molecular Formula:
C
14
H
18
O
3
S
Molecular Weight:
266.361 g/mol
Cas Number:
-
EINECS Number:
-
2,7-dimethoxy-3,8-dimethyl-9,10-dihydro-4-phenanthrenecarbaldehyde
Molecular Formula:
C
19
H
20
O
3
Molecular Weight:
296.366 g/mol
Cas Number:
-
EINECS Number:
-
2,7-dimethoxy-1,6-dimethyl-5-vinyl-9,10-dihydrophenanthrene
Molecular Formula:
C
20
H
22
O
2
Molecular Weight:
294.393 g/mol
Cas Number:
-
EINECS Number:
-
5,6,7-trimethoxy-8-isoquinolinecarbaldehyde
Molecular Formula:
C
13
H
13
NO
4
Molecular Weight:
247.251 g/mol
Cas Number:
-
EINECS Number:
-
methyl (5,6,7-trimethoxy-8-isoquinolinyl)acetate
Molecular Formula:
C
15
H
17
NO
5
Molecular Weight:
291.304 g/mol
Cas Number:
-
EINECS Number:
-
5,6,7-trimethoxy-1-isoquinolinecarbonitrile
Molecular Formula:
C
13
H
12
N
2
O
3
Molecular Weight:
244.25 g/mol
Cas Number:
-
EINECS Number:
-
5,6,7-trimethoxy-8-methyl-1-isoquinolinecarbonitrile
Molecular Formula:
C
14
H
14
N
2
O
3
Molecular Weight:
258.277 g/mol
Cas Number:
-
EINECS Number:
-
1-isoquinolinecarbonitrile
Molecular Formula:
C
10
H
6
N
2
Molecular Weight:
154.171 g/mol
Cas Number:
1198-30-7
EINECS Number:
-
4-methyl-6-(trifluoromethyl)-2-pyrimidinylamine
Molecular Formula:
C
6
H
6
F
3
N
3
Molecular Weight:
177.129 g/mol
Cas Number:
5734-63-4
EINECS Number:
-
ethyl-[2-[2-(2-phenylmethoxy-ethoxy)-ethoxy]-ethyl]-amine
Molecular Formula:
C
15
H
25
NO
3
Molecular Weight:
267.368 g/mol
Cas Number:
-
EINECS Number:
-
undecoxy-methyl-benzene
Molecular Formula:
C
18
H
30
O
Molecular Weight:
262.436 g/mol
Cas Number:
-
EINECS Number:
-
(5Z)-7-isopropyl-11-phenyl-2,4,8,10-tetraoxaundec-5-ene
Molecular Formula:
C
16
H
24
O
4
Molecular Weight:
280.364 g/mol
Cas Number:
-
EINECS Number:
-
(1Z)-1-(methoxymethoxy)-4-methyl-1-penten-3-ol
Molecular Formula:
C
8
H
16
O
3
Molecular Weight:
160.213 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dioxo-1,3-dihydro-2-benzofuran-4-carbaldehyde dimethylhydrazone
Molecular Formula:
C
11
H
10
N
2
O
3
Molecular Weight:
218.212 g/mol
Cas Number:
-
EINECS Number:
-
1-hydroxy-3-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid
Molecular Formula:
C
9
H
6
O
5
Molecular Weight:
194.144 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-9,10-dioxo-9,10-dihydro-1-anthracenecarbaldehyde
Molecular Formula:
C
15
H
8
O
4
Molecular Weight:
252.226 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trifluoro-N-phenacylacetamide
Molecular Formula:
C
10
H
8
F
3
NO
2
Molecular Weight:
231.174 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trifluoro-N-methyl-N-phenacylacetamide
Molecular Formula:
C
11
H
10
F
3
NO
2
Molecular Weight:
245.201 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trifluoro-N-phenethylacetamide
Molecular Formula:
C
10
H
10
F
3
NO
Molecular Weight:
217.191 g/mol
Cas Number:
458-85-5
EINECS Number:
-
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
Molecular Formula:
C
10
H
10
F
3
NO
2
Molecular Weight:
233.19 g/mol
Cas Number:
-
EINECS Number:
-
7,8-dimethoxy-1,2,3,5,10,10a-hexahydropyrrolo[1,2-b]isoquinoline
Molecular Formula:
C
14
H
19
NO
2
Molecular Weight:
233.31 g/mol
Cas Number:
82589-55-7
EINECS Number:
-
1-nonen-3-ol
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
21964-44-3
EINECS Number:
244-686-1
(2E)-1-bromo-2-nonene
Molecular Formula:
C
9
H
17
Br
Molecular Weight:
205.138 g/mol
Cas Number:
-
EINECS Number:
-
[1,8-dimethyl-7-(sulfanylmethyl)-2-naphthyl]methyl hydrosulfide
Molecular Formula:
C
14
H
16
S
2
Molecular Weight:
248.413 g/mol
Cas Number:
-
EINECS Number:
-
4-tert-butyl-2,6-dimethylphenol
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
879-97-0
EINECS Number:
-
(1-benzoyl-2-pyrrolidinyl)(phenyl)methanone
Molecular Formula:
C
18
H
17
NO
2
Molecular Weight:
279.339 g/mol
Cas Number:
-
EINECS Number:
-
2-[2-(2-bromophenyl)ethyl]malonic acid
Molecular Formula:
C
11
H
11
BrO
4
Molecular Weight:
287.11 g/mol
Cas Number:
-
EINECS Number:
-
4-(2-bromophenyl)butanoic acid
Molecular Formula:
C
10
H
11
BrO
2
Molecular Weight:
243.1 g/mol
Cas Number:
-
EINECS Number:
-
5-bromotetralin-1-one
Molecular Formula:
C
10
H
9
BrO
Molecular Weight:
225.085 g/mol
Cas Number:
68449-30-9
EINECS Number:
-
(2-azido-2-methoxy-1-methylethyl)benzene
Molecular Formula:
C
10
H
13
N
3
O
Molecular Weight:
191.233 g/mol
Cas Number:
-
EINECS Number:
-
(1-azidocyclohexyl)benzene
Molecular Formula:
C
12
H
15
N
3
Molecular Weight:
201.271 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dimethylbutyl azide
Molecular Formula:
C
6
H
13
N
3
Molecular Weight:
127.189 g/mol
Cas Number:
-
EINECS Number:
-
2-azido-2-methyl-1-propanol
Molecular Formula:
C
4
H
9
N
3
O
Molecular Weight:
115.135 g/mol
Cas Number:
-
EINECS Number:
-
(1-azido-1-methylethyl)benzene
Molecular Formula:
C
9
H
11
N
3
Molecular Weight:
161.207 g/mol
Cas Number:
-
EINECS Number:
-
pentylidenecyclohexane
Molecular Formula:
C
11
H
20
Molecular Weight:
152.28 g/mol
Cas Number:
-
EINECS Number:
-
pentylidenecyclopentane
Molecular Formula:
C
10
H
18
Molecular Weight:
138.253 g/mol
Cas Number:
-
EINECS Number:
-
3-cyclohexen-1-amine
Molecular Formula:
C
6
H
11
N
Molecular Weight:
97.16 g/mol
Cas Number:
-
EINECS Number:
-
N-(1-amino-2-methylpropyl)acetamide
Molecular Formula:
C
6
H
14
N
2
O
Molecular Weight:
130.19 g/mol
Cas Number:
-
EINECS Number:
-
3-pentyl-2-octene
Molecular Formula:
C
13
H
26
Molecular Weight:
182.349 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-dec-1-enyl-benzene
Molecular Formula:
C
22
H
28
Molecular Weight:
292.464 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-butenylbenzene
Molecular Formula:
C
10
H
12
Molecular Weight:
132.205 g/mol
Cas Number:
1560-06-1
EINECS Number:
-
4-[benzoyl-[(Z)-4-hydroxybut-2-enyl]amino]butanoic acid
Molecular Formula:
C
15
H
19
NO
4
Molecular Weight:
277.32 g/mol
Cas Number:
-
EINECS Number:
-
N-methylbenzo[h]quinoline-4-carboxamide
Molecular Formula:
C
15
H
12
N
2
O
Molecular Weight:
236.273 g/mol
Cas Number:
-
EINECS Number:
-
6-phenyl-2,3,4,5-tetrahydropyridine
Molecular Formula:
C
11
H
13
N
Molecular Weight:
159.231 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dibutylpiperidine
Molecular Formula:
C
13
H
27
N
Molecular Weight:
197.364 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 5,6,7,8-tetrahydro-1,4-phthalazinedicarboxylate
Molecular Formula:
C
12
H
14
N
2
O
4
Molecular Weight:
250.254 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2,4a,5,6,7,8-hexahydro-1,4-phthalazinedicarboxylate
Molecular Formula:
C
12
H
16
N
2
O
4
Molecular Weight:
252.27 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-amino-4,5,6,7-tetrahydro-2H-isoindole-1,3-dicarboxylate
Molecular Formula:
C
12
H
16
N
2
O
4
Molecular Weight:
252.27 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 4,5,6,7-tetrahydro-2H-isoindole-1,3-dicarboxylate
Molecular Formula:
C
12
H
15
NO
4
Molecular Weight:
237.255 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 4,5-dimethyl-3,6-pyridazinedicarboxylate
Molecular Formula:
C
10
H
12
N
2
O
4
Molecular Weight:
224.216 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 3,4-dimethyl-1H-pyrrole-2,5-dicarboxylate
Molecular Formula:
C
10
H
13
NO
4
Molecular Weight:
211.218 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-acetyl-1H-indol-4-yl)ethanone
Molecular Formula:
C
12
H
11
NO
2
Molecular Weight:
201.225 g/mol
Cas Number:
-
EINECS Number:
-
1-cinnamyl-4-(1-hydroxyethyl)diazetidin-3-one
Molecular Formula:
C
13
H
16
N
2
O
2
Molecular Weight:
232.282 g/mol
Cas Number:
-
EINECS Number:
-
1-phenethyldiazetidin-3-one
Molecular Formula:
C
10
H
12
N
2
O
Molecular Weight:
176.218 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-methyl-2-phenylethyl)-1,2-diazetidin-3-one
Molecular Formula:
C
11
H
14
N
2
O
Molecular Weight:
190.245 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 5-(5-chloro-2-hydroxyphenyl)-3-methyl-4-isoxazolecarboxylate
Molecular Formula:
C
13
H
12
ClNO
4
Molecular Weight:
281.695 g/mol
Cas Number:
-
EINECS Number:
-
8-chloro-3-methyl-4H-chromeno[3,4-d]isoxazol-4-one
Molecular Formula:
C
11
H
6
ClNO
3
Molecular Weight:
235.626 g/mol
Cas Number:
-
EINECS Number:
-
3-acetohydroximoyl-4-hydroxy-coumarin
Molecular Formula:
C
11
H
9
NO
4
Molecular Weight:
219.197 g/mol
Cas Number:
-
EINECS Number:
-
4-acetyl-3-(2-methoxyphenyl)-5(4H)-isoxazolone
Molecular Formula:
C
12
H
11
NO
4
Molecular Weight:
233.224 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-3-oxopropyl acetate
Molecular Formula:
C
7
H
12
O
3
Molecular Weight:
144.17 g/mol
Cas Number:
-
EINECS Number:
-
3,3-dimethoxy-2,2-dimethylpropanal
Molecular Formula:
C
7
H
14
O
3
Molecular Weight:
146.186 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-methoxy-1,5-dimethyl-2,5-cyclohexadiene-1-carboxylate
Molecular Formula:
C
11
H
16
O
3
Molecular Weight:
196.246 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-ethyl-6,6-dimethoxy-2,4-cyclohexadiene-1-carboxylate
Molecular Formula:
C
12
H
18
O
4
Molecular Weight:
226.273 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-ethyl-6-oxo-2,4-cyclohexadiene-1-carboxylate
Molecular Formula:
C
10
H
12
O
3
Molecular Weight:
180.203 g/mol
Cas Number:
-
EINECS Number:
-
4,4,5,5-tetramethyl-1,2,3-trioxolane
Molecular Formula:
C
6
H
12
O
3
Molecular Weight:
132.159 g/mol
Cas Number:
-
EINECS Number:
-
1,1,1,2,2-pentafluoro-3-nitrosopropane
Molecular Formula:
C
3
H
2
F
5
NO
Molecular Weight:
163.047 g/mol
Cas Number:
-
EINECS Number:
-
2,2-difluoro-N,N'-dihydroxypropanediamide
Molecular Formula:
C
3
H
4
F
2
N
2
O
4
Molecular Weight:
170.073 g/mol
Cas Number:
-
EINECS Number:
-
8-methoxy-2,3,11,12-tetrahydro-1H-chrysen-4-one
Molecular Formula:
C
19
H
18
O
2
Molecular Weight:
278.351 g/mol
Cas Number:
-
EINECS Number:
-
4-[1-(2,2-dimethoxy-ethylamino)-ethyl]-benzene-1,2-diol
Molecular Formula:
C
12
H
19
NO
4
Molecular Weight:
241.287 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-1,2,3,4-tetrahydro-4,7,8-isoquinolinetriol
Molecular Formula:
C
10
H
13
NO
3
Molecular Weight:
195.218 g/mol
Cas Number:
-
EINECS Number:
-
1,3-diazabicyclo[3.1.0]hexan-2-one
Molecular Formula:
C
4
H
6
N
2
O
Molecular Weight:
98.105 g/mol
Cas Number:
-
EINECS Number:
-
1,2-octadiene
Molecular Formula:
C
8
H
14
Molecular Weight:
110.199 g/mol
Cas Number:
-
EINECS Number:
-
1-isocyanato-1-cyclohexene
Molecular Formula:
C
7
H
9
NO
Molecular Weight:
123.155 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-methyl-2-(4-nitrophenyl)propanoate
Molecular Formula:
C
11
H
13
NO
4
Molecular Weight:
223.229 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-(5-chloro-3-methoxy-2-nitrophenyl)-2-methylpropanoate
Molecular Formula:
C
12
H
14
ClNO
5
Molecular Weight:
287.7 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1,3,4,5-tetranitrobenzene
Molecular Formula:
C
6
HClN
4
O
8
Molecular Weight:
292.549 g/mol
Cas Number:
-
EINECS Number:
-
5-butyl-4,5-dihydro-3-isoxazolyl phenyl sulfone
Molecular Formula:
C
13
H
17
NO
3
S
Molecular Weight:
267.349 g/mol
Cas Number:
-
EINECS Number:
-
4-(3-hydrocinnamoyl-4,5-dihydroisoxazol-5-yl)butan-2-one
Molecular Formula:
C
16
H
19
NO
3
Molecular Weight:
273.332 g/mol
Cas Number:
-
EINECS Number:
-
2-acenaphthen-3-yl-propan-2-ol
Molecular Formula:
C
15
H
16
O
Molecular Weight:
212.291 g/mol
Cas Number:
-
EINECS Number:
-
2-(1,3-dithiolan-2-yl)-3-cyclopentene-1-carbaldehyde
Molecular Formula:
C
9
H
12
OS
2
Molecular Weight:
200.326 g/mol
Cas Number:
-
EINECS Number:
-
5-hydroxy-1-phenyl-3-tridecanone
Molecular Formula:
C
19
H
30
O
2
Molecular Weight:
290.446 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-amino-5-imino-2-methylene-2,5-dihydro-3-furanyl)ethanone
Molecular Formula:
C
7
H
8
N
2
O
2
Molecular Weight:
152.153 g/mol
Cas Number:
-
EINECS Number:
-
4-acetyl-3-amino-5-methylidenefuran-2-one
Molecular Formula:
C
7
H
7
NO
3
Molecular Weight:
153.138 g/mol
Cas Number:
92220-25-2
EINECS Number:
-
ethyl (2Z)-2-acetyl-3-amino-3-cyano-2-propenoate
Molecular Formula:
C
8
H
10
N
2
O
3
Molecular Weight:
182.179 g/mol
Cas Number:
-
EINECS Number:
-
2-bromo-4-tert-butyl-1-methylbenzene
Molecular Formula:
C
11
H
15
Br
Molecular Weight:
227.144 g/mol
Cas Number:
61024-94-0
EINECS Number:
-
(2E)-4-(diethoxyphosphoryl)-2-butenyl acetate
Molecular Formula:
C
10
H
19
O
5
P
Molecular Weight:
250.232 g/mol
Cas Number:
-
EINECS Number:
-
diethyl (2E)-4-(dimethylamino)-2-butenylphosphonate
Molecular Formula:
C
10
H
22
NO
3
P
Molecular Weight:
235.263 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-3-[(4E)-5-methoxy-4-pentenyl]-3-methylcyclohexanone
Molecular Formula:
C
13
H
21
ClO
2
Molecular Weight:
244.761 g/mol
Cas Number:
-
EINECS Number:
-
1-[3-(3-methoxyphenyl)propyl]-4-methyl-1,3-dihydro-2H-imidazol-2-one
Molecular Formula:
C
14
H
18
N
2
O
2
Molecular Weight:
246.309 g/mol
Cas Number:
-
EINECS Number:
-
5,6,7,11b-tetrahydro-1H-imidazo[5,1-a][2]benzazepine-1,3(2H)-dione
Molecular Formula:
C
12
H
12
N
2
O
2
Molecular Weight:
216.24 g/mol
Cas Number:
-
EINECS Number:
-
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