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emical database
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Chemical Name
Cas Number
EINECS Number
MDL Number
Molecular Formula
InChIKey
Smiles
Journal Title
GO
Tetrahedron Letters - 10599 compounds - page 43
tert-butyl cyclohexylideneacetate
Molecular Formula:
C
12
H
20
O
2
Molecular Weight:
196.29 g/mol
Cas Number:
-
EINECS Number:
-
2,3-diethyl-2-cyclopenten-1-one
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-9-methyl-3,7,8-decatrien-5-yn-2-ol
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
9-methyl-4,5,7,8-decatetraen-2-ol
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dichloro-1,2,5-thiadiazole
Molecular Formula:
C
2
Cl
2
N
2
S
Molecular Weight:
155.007 g/mol
Cas Number:
5728-20-1
EINECS Number:
227-232-7
3,4,4,5-tetrachloro-4H-1,2,6-thiadiazine
Molecular Formula:
C
3
Cl
4
N
2
S
Molecular Weight:
237.923 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trichloro-N-methylsulfanylethanimidoyl chloride
Molecular Formula:
C
3
H
3
Cl
4
NS
Molecular Weight:
226.94 g/mol
Cas Number:
-
EINECS Number:
-
1,3-diphenyl-propa-1,2-dienyl-benzene
Molecular Formula:
C
21
H
16
Molecular Weight:
268.358 g/mol
Cas Number:
-
EINECS Number:
-
N-phenyl-carbamic acid benzamido ester
Molecular Formula:
C
14
H
12
N
2
O
3
Molecular Weight:
256.261 g/mol
Cas Number:
-
EINECS Number:
-
6-hydroxy-2-methylhexanoic acid
Molecular Formula:
C
7
H
14
O
3
Molecular Weight:
146.186 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-butyl-3-phenyl-2-propen-1-ol
Molecular Formula:
C
13
H
18
O
Molecular Weight:
190.285 g/mol
Cas Number:
-
EINECS Number:
-
5-(4-methoxyphenyl)-7H-thieno[3,2-b]pyran-7-one
Molecular Formula:
C
14
H
10
O
3
S
Molecular Weight:
258.298 g/mol
Cas Number:
-
EINECS Number:
-
2-(chloromethyl)hexahydro-1H-pyrrolizine
Molecular Formula:
C
8
H
14
ClN
Molecular Weight:
159.659 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 4-phenyl-1H-pyrazole-3,5-dicarboxylate
Molecular Formula:
C
13
H
12
N
2
O
4
Molecular Weight:
260.249 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-2-thiophenecarboxylic acid
Molecular Formula:
C
6
H
6
O
2
S
Molecular Weight:
142.178 g/mol
Cas Number:
1918-79-2
EINECS Number:
217-640-3
Cuproin
Molecular Formula:
C
18
H
12
N
2
Molecular Weight:
256.307 g/mol
Cas Number:
119-91-5
EINECS Number:
204-357-5
(3E)-3-ethylidene-5-methyl-2,6-piperidinedione
Molecular Formula:
C
8
H
11
NO
2
Molecular Weight:
153.181 g/mol
Cas Number:
-
EINECS Number:
-
4-(6-chloro-1-cyclohexen-1-yl)morpholine
Molecular Formula:
C
10
H
16
ClNO
Molecular Weight:
201.696 g/mol
Cas Number:
-
EINECS Number:
-
benzyl-tert-butoxy-amine
Molecular Formula:
C
11
H
17
NO
Molecular Weight:
179.262 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-3-methylene-5-phenyl-2,3-dihydrofuran
Molecular Formula:
C
13
H
14
O
Molecular Weight:
186.254 g/mol
Cas Number:
-
EINECS Number:
-
5-hydroxy-6-phenylmethoxydec-2-ynoic acid
Molecular Formula:
C
17
H
22
O
4
Molecular Weight:
290.359 g/mol
Cas Number:
-
EINECS Number:
-
6-(1-hydroxypentyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one
Molecular Formula:
C
11
H
18
O
4
Molecular Weight:
214.262 g/mol
Cas Number:
-
EINECS Number:
-
N-(2,2-dimethyl-4-oxo-1-azetidinyl)-2-phenylacetamide
Molecular Formula:
C
13
H
16
N
2
O
2
Molecular Weight:
232.282 g/mol
Cas Number:
-
EINECS Number:
-
1-ethoxycarbonyl-cyclohexane-1-carboxylic acid
Molecular Formula:
C
10
H
16
O
4
Molecular Weight:
200.235 g/mol
Cas Number:
-
EINECS Number:
-
3-ethoxy-2,2-dimethyl-3-oxopropanoic acid
Molecular Formula:
C
7
H
12
O
4
Molecular Weight:
160.17 g/mol
Cas Number:
5471-77-2
EINECS Number:
-
3-(diethoxymethyl)-3-buten-2-ol
Molecular Formula:
C
9
H
18
O
3
Molecular Weight:
174.24 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-2-(chloromethyl)-6-(4-methylphenyl)-2-heptenal
Molecular Formula:
C
15
H
19
ClO
Molecular Weight:
250.768 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-methyl-6-(4-methylphenyl)-2-hepten-1-ol
Molecular Formula:
C
15
H
22
O
Molecular Weight:
218.339 g/mol
Cas Number:
-
EINECS Number:
-
1,3-thiazolidin-2-one
Molecular Formula:
C
3
H
5
NOS
Molecular Weight:
103.145 g/mol
Cas Number:
2682-49-7
EINECS Number:
-
4,6-dimethyl-2-pyridinol
Molecular Formula:
C
7
H
9
NO
Molecular Weight:
123.155 g/mol
Cas Number:
16115-08-5
EINECS Number:
-
5-ethoxy-4-ethylfuran-3-one
Molecular Formula:
C
8
H
12
O
3
Molecular Weight:
156.181 g/mol
Cas Number:
-
EINECS Number:
-
N-phenyl-2-(1H-tetraazol-1-yl)acetamide
Molecular Formula:
C
9
H
9
N
5
O
Molecular Weight:
203.204 g/mol
Cas Number:
-
EINECS Number:
-
2-[(1E)-1-ethyl-1-propenyl]-2-methyl-1,3-dithiane
Molecular Formula:
C
10
H
18
S
2
Molecular Weight:
202.385 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-cyclohexyl-2-ethyl-2-buten-1-one
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
2-chlorohexanoyl chloride
Molecular Formula:
C
6
H
10
Cl
2
O
Molecular Weight:
169.05 g/mol
Cas Number:
-
EINECS Number:
-
2-iodohexanoyl chloride
Molecular Formula:
C
6
H
10
ClIO
Molecular Weight:
260.502 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-cyclotridecen-1-one
Molecular Formula:
C
14
H
24
O
Molecular Weight:
208.344 g/mol
Cas Number:
-
EINECS Number:
-
5-ethoxy-2-isopropenyl-1,3-oxazole
Molecular Formula:
C
8
H
11
NO
2
Molecular Weight:
153.181 g/mol
Cas Number:
-
EINECS Number:
-
7-chloro-2-methyl-3H-2,1-benzisothiazole
Molecular Formula:
C
8
H
8
ClNS
Molecular Weight:
185.677 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-methylcyclopropyl)-1-propanone
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
-
EINECS Number:
-
2,3,5-trimethyl-2-cyclopenten-1-one
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
54562-24-2
EINECS Number:
-
5-propyl-4-octanone
Molecular Formula:
C
11
H
22
O
Molecular Weight:
170.295 g/mol
Cas Number:
-
EINECS Number:
-
1-bromo-4-ethylbenzene
Molecular Formula:
C
8
H
9
Br
Molecular Weight:
185.063 g/mol
Cas Number:
1585-07-5
EINECS Number:
216-439-8
9-[(1E)-4-methyl-1-pentenyl]-9H-carbazole
Molecular Formula:
C
18
H
19
N
Molecular Weight:
249.356 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-5,5-diphenyl-4-penten-2-one
Molecular Formula:
C
18
H
18
O
Molecular Weight:
250.34 g/mol
Cas Number:
-
EINECS Number:
-
5,5-diphenyltetrahydro-2-furanol
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
-
EINECS Number:
-
(4Z)-3,9-dimethyl-1,4,8-decatrien-3-ol
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-(methylsulfanyl)-2-propenyl dimethyldithiocarbamate
Molecular Formula:
C
7
H
13
NS
3
Molecular Weight:
207.385 g/mol
Cas Number:
-
EINECS Number:
-
1-pentyl-2-propenyl dimethyldithiocarbamate
Molecular Formula:
C
11
H
21
NS
2
Molecular Weight:
231.426 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-octenyl dimethyldithiocarbamate
Molecular Formula:
C
11
H
21
NS
2
Molecular Weight:
231.426 g/mol
Cas Number:
-
EINECS Number:
-
1-methylsulfanyl-1-methylsulfinylcyclobutane
Molecular Formula:
C
6
H
12
OS
2
Molecular Weight:
164.293 g/mol
Cas Number:
-
EINECS Number:
-
2-ethanimidoylphenol
Molecular Formula:
C
8
H
9
NO
Molecular Weight:
135.166 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-chloroethyl)-N-methyl-N'-phenylurea
Molecular Formula:
C
10
H
13
ClN
2
O
Molecular Weight:
212.679 g/mol
Cas Number:
-
EINECS Number:
-
N-phenyl-1-piperidinecarboxamide
Molecular Formula:
C
12
H
16
N
2
O
Molecular Weight:
204.272 g/mol
Cas Number:
-
EINECS Number:
-
5-acetyl-1,3-dihydro-2H-inden-2-one
Molecular Formula:
C
11
H
10
O
2
Molecular Weight:
174.199 g/mol
Cas Number:
-
EINECS Number:
-
5,8-dihydroxy-5-propyl-4-octanone
Molecular Formula:
C
11
H
22
O
3
Molecular Weight:
202.294 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-methyl-1,3-dioxolan-2-yl)-3-nonanone
Molecular Formula:
C
13
H
24
O
3
Molecular Weight:
228.332 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2-phenylsulfanylcyclohexan-1-one
Molecular Formula:
C
13
H
16
OS
Molecular Weight:
220.335 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-2-butyl-5,9-dimethyl-1,4,8-decatriene
Molecular Formula:
C
16
H
28
Molecular Weight:
220.398 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
Molecular Formula:
C
15
H
17
NO
Molecular Weight:
227.306 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-methyl-3-phenyl-2-butenenitrile
Molecular Formula:
C
11
H
11
N
Molecular Weight:
157.215 g/mol
Cas Number:
-
EINECS Number:
-
1,4,7,10-tetraoxacyclododecane
Molecular Formula:
C
8
H
16
O
4
Molecular Weight:
176.213 g/mol
Cas Number:
294-93-9
EINECS Number:
206-036-5
ethyl 1,2-dimethyl-2,4-cyclohexadiene-1-carboxylate
Molecular Formula:
C
11
H
16
O
2
Molecular Weight:
180.247 g/mol
Cas Number:
-
EINECS Number:
-
3-phenyl-2H-thiopyrano[2,3-b]quinolin-2-one
Molecular Formula:
C
18
H
11
NOS
Molecular Weight:
289.357 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-5-nitro-1-phenyl-1H-thieno[2,3-c]pyrazole
Molecular Formula:
C
12
H
9
N
3
O
2
S
Molecular Weight:
259.288 g/mol
Cas Number:
-
EINECS Number:
-
4-pyrrol-1-yl-1,2,4-triazole
Molecular Formula:
C
6
H
6
N
4
Molecular Weight:
134.141 g/mol
Cas Number:
-
EINECS Number:
-
5,6,7,8-tetramethyl-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1,3-dione
Molecular Formula:
C
16
H
18
O
3
Molecular Weight:
258.317 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-6,10-dithiaspiro[4.5]dec-2-en-1-one
Molecular Formula:
C
9
H
12
OS
2
Molecular Weight:
200.326 g/mol
Cas Number:
-
EINECS Number:
-
1-(1,3-dithian-2-yl)-1,2-propanedione
Molecular Formula:
C
7
H
10
O
2
S
2
Molecular Weight:
190.287 g/mol
Cas Number:
-
EINECS Number:
-
3-phenylcarbostyril
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
38035-81-3
EINECS Number:
-
(2Z)-2-chloro-3-(4-methoxyphenyl)-N-phenyl-2-propenamide
Molecular Formula:
C
16
H
14
ClNO
2
Molecular Weight:
287.745 g/mol
Cas Number:
-
EINECS Number:
-
methyl 6-methoxy-2-pyridinecarboxylate
Molecular Formula:
C
8
H
9
NO
3
Molecular Weight:
167.164 g/mol
Cas Number:
26256-72-4
EINECS Number:
-
2-amino-4-methyl-N-phenyl-1,3-oxazole-5-carbothioamide
Molecular Formula:
C
11
H
11
N
3
OS
Molecular Weight:
233.294 g/mol
Cas Number:
-
EINECS Number:
-
N,4-dimethyl-2-(methyl-carbamothioylamino)-oxazole-5-carbothioamide
Molecular Formula:
C
8
H
12
N
4
OS
2
Molecular Weight:
244.342 g/mol
Cas Number:
-
EINECS Number:
-
1-methoxy-3-nitrobenzene
Molecular Formula:
C
7
H
7
NO
3
Molecular Weight:
153.138 g/mol
Cas Number:
555-03-3
EINECS Number:
209-079-8
4,5,5-trimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
Molecular Formula:
C
13
H
21
NO
Molecular Weight:
207.316 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-4-(1-pyrrolidinyl)-3-hexen-2-one
Molecular Formula:
C
10
H
17
NO
Molecular Weight:
167.251 g/mol
Cas Number:
-
EINECS Number:
-
6b,8a-dihydrocyclobuta[a]acenaphthylene
Molecular Formula:
C
14
H
10
Molecular Weight:
178.233 g/mol
Cas Number:
30736-79-9
EINECS Number:
-
(2E)-5-bromo-2-methyl-2-penten-1-ol
Molecular Formula:
C
6
H
11
BrO
Molecular Weight:
179.057 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-5-bromo-3-methyl-2-penten-1-ol
Molecular Formula:
C
6
H
11
BrO
Molecular Weight:
179.057 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-2,3-hexadienamide
Molecular Formula:
C
7
H
11
NO
Molecular Weight:
125.17 g/mol
Cas Number:
-
EINECS Number:
-
4-methylphenyl thiocyanate
Molecular Formula:
C
8
H
7
NS
Molecular Weight:
149.216 g/mol
Cas Number:
-
EINECS Number:
-
2-nitrophenyl thiocyanate
Molecular Formula:
C
7
H
4
N
2
O
2
S
Molecular Weight:
180.187 g/mol
Cas Number:
2769-30-4
EINECS Number:
-
2,3-diphenyl-1H-inden-1-imine
Molecular Formula:
C
21
H
15
N
Molecular Weight:
281.357 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E)-3,7-dimethyl-8-oxo-2,6-octadienyl acetate
Molecular Formula:
C
12
H
18
O
3
Molecular Weight:
210.273 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E)-8,11-dihydroxy-3,7-dimethyl-2,6-dodecadien-9-ynyl acetate
Molecular Formula:
C
16
H
24
O
4
Molecular Weight:
280.364 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E,9E)-8,11-dihydroxy-3,7-dimethyl-2,6,9-dodecatrienyl acetate
Molecular Formula:
C
16
H
26
O
4
Molecular Weight:
282.38 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E,9E)-3,7-dimethyl-8,11-dioxo-2,6,9-dodecatrienal
Molecular Formula:
C
14
H
18
O
3
Molecular Weight:
234.295 g/mol
Cas Number:
36518-11-3
EINECS Number:
-
bicyclo[3.2.1]oct-3-en-6-yl acetate
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
-
EINECS Number:
-
N,2-diphenyl-4-quinazolinamine
Molecular Formula:
C
20
H
15
N
3
Molecular Weight:
297.359 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-3-phenylindoline
Molecular Formula:
C
15
H
15
N
Molecular Weight:
209.291 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-3-phenyl-3H-indole
Molecular Formula:
C
15
H
13
N
Molecular Weight:
207.275 g/mol
Cas Number:
-
EINECS Number:
-
1-[(1E,3E)-3,7-dimethyl-1,3,6-octatrienyl]pyrrolidine
Molecular Formula:
C
14
H
23
N
Molecular Weight:
205.343 g/mol
Cas Number:
-
EINECS Number:
-
2,6,6-trimethyl-2-cyclohexene-1-carbaldehyde
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
432-24-6
EINECS Number:
207-080-8
4-isopropenyl-1-cyclohexene
Molecular Formula:
C
9
H
14
Molecular Weight:
122.21 g/mol
Cas Number:
-
EINECS Number:
-
3-nitro-5-phenylisoxazole
Molecular Formula:
C
9
H
6
N
2
O
3
Molecular Weight:
190.158 g/mol
Cas Number:
-
EINECS Number:
-
diethyl sulfinylamidophosphate
Molecular Formula:
C
4
H
10
NO
4
PS
Molecular Weight:
199.167 g/mol
Cas Number:
4921-73-7
EINECS Number:
-
2,2-dimethyl-furan-3-one
Molecular Formula:
C
6
H
8
O
2
Molecular Weight:
112.128 g/mol
Cas Number:
35298-48-7
EINECS Number:
-
3-chloro-3-methyloctahydro-8aH-chromen-8a-ol
Molecular Formula:
C
10
H
17
ClO
2
Molecular Weight:
204.696 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-3-methyl-3,4,5,6,7,8-hexahydro-2H-chromene
Molecular Formula:
C
10
H
15
ClO
Molecular Weight:
186.681 g/mol
Cas Number:
-
EINECS Number:
-
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