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Chemical Name
Cas Number
EINECS Number
MDL Number
Molecular Formula
InChIKey
Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 3
butyl acetate
Molecular Formula:
C
6
H
12
O
2
Molecular Weight:
116.16 g/mol
Cas Number:
123-86-4
EINECS Number:
204-658-1
2-acetonylcyclohexan-1-one
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
5-cyclohexyl-tetrahydro-furan-2-one
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1-hexenylbenzene
Molecular Formula:
C
12
H
16
Molecular Weight:
160.259 g/mol
Cas Number:
-
EINECS Number:
-
2,5-decanedione
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyloxirane
Molecular Formula:
C
8
H
8
O
Molecular Weight:
120.151 g/mol
Cas Number:
96-09-3
EINECS Number:
202-476-7
dimethyl terephthalate
Molecular Formula:
C
10
H
10
O
4
Molecular Weight:
194.187 g/mol
Cas Number:
120-61-6
EINECS Number:
204-411-8
benzenesulfinyl-benzene
Molecular Formula:
C
12
H
10
OS
Molecular Weight:
202.277 g/mol
Cas Number:
945-51-7
EINECS Number:
213-415-9
2-phenyl-1-propanol
Molecular Formula:
C
9
H
12
O
Molecular Weight:
136.194 g/mol
Cas Number:
1123-85-9
EINECS Number:
214-379-7
1-benzyl-4-methyl-2-azetidinone
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
-
EINECS Number:
-
2-(methoxy-phenylmethyl)cyclohexan-1-one
Molecular Formula:
C
14
H
18
O
2
Molecular Weight:
218.296 g/mol
Cas Number:
-
EINECS Number:
-
7-octen-2-one
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
3664-60-6
EINECS Number:
-
2-oxepanone
Molecular Formula:
C
6
H
10
O
2
Molecular Weight:
114.144 g/mol
Cas Number:
502-44-3
EINECS Number:
207-938-1
1-bromoallene
Molecular Formula:
C
3
H
3
Br
Molecular Weight:
118.961 g/mol
Cas Number:
10024-18-7
EINECS Number:
-
3-methyl-5H-furan-2-one
Molecular Formula:
C
5
H
6
O
2
Molecular Weight:
98.101 g/mol
Cas Number:
22122-36-7
EINECS Number:
-
9H-fluorene-9-thione
Molecular Formula:
C
13
H
8
S
Molecular Weight:
196.273 g/mol
Cas Number:
-
EINECS Number:
-
4-(1-methoxyvinyl)-1,2-dimethyl-1-cyclohexene
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
(1-chloro-2,2,3,3-tetramethylcyclopropyl)benzene
Molecular Formula:
C
13
H
17
Cl
Molecular Weight:
208.731 g/mol
Cas Number:
-
EINECS Number:
-
2-cyclohexen-1-yl acetate
Molecular Formula:
C
8
H
12
O
2
Molecular Weight:
140.182 g/mol
Cas Number:
-
EINECS Number:
-
phthalimide
Molecular Formula:
C
8
H
5
NO
2
Molecular Weight:
147.133 g/mol
Cas Number:
85-41-6
EINECS Number:
201-603-3
(4-hydroxyphenyl)(phenyl)methanone
Molecular Formula:
C
13
H
10
O
2
Molecular Weight:
198.221 g/mol
Cas Number:
1137-42-4
EINECS Number:
214-507-1
1,2-decanediol
Molecular Formula:
C
10
H
22
O
2
Molecular Weight:
174.283 g/mol
Cas Number:
1119-86-4
EINECS Number:
214-288-2
(2E)-3,7-dimethyl-2,6-octadienal
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
5392-40-5
EINECS Number:
226-394-6
5,6-diethyl-1-benzofuran-4,7-dione
Molecular Formula:
C
12
H
12
O
3
Molecular Weight:
204.225 g/mol
Cas Number:
-
EINECS Number:
-
2-ethoxy-4,6-diphenyl-3,4-dihydro-2H-pyran
Molecular Formula:
C
19
H
20
O
2
Molecular Weight:
280.367 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-2-oxo-1,2-dihydro-4-quinolinecarbaldehyde
Molecular Formula:
C
11
H
9
NO
2
Molecular Weight:
187.198 g/mol
Cas Number:
-
EINECS Number:
-
phenylacetyl chloride
Molecular Formula:
C
8
H
7
ClO
Molecular Weight:
154.596 g/mol
Cas Number:
103-80-0
EINECS Number:
203-146-5
octahydroindolizine
Molecular Formula:
C
8
H
15
N
Molecular Weight:
125.214 g/mol
Cas Number:
13618-93-4
EINECS Number:
-
1,2,3,4,5,6-hexaethylbenzene
Molecular Formula:
C
18
H
30
Molecular Weight:
246.436 g/mol
Cas Number:
604-88-6
EINECS Number:
-
fluoro-methyl-benzene
Molecular Formula:
C
7
H
7
F
Molecular Weight:
110.131 g/mol
Cas Number:
175203-62-0
EINECS Number:
-
3-(2-hydroxyethyl)cyclopentanone
Molecular Formula:
C
7
H
12
O
2
Molecular Weight:
128.171 g/mol
Cas Number:
-
EINECS Number:
-
2-bromocyclohexanone
Molecular Formula:
C
6
H
9
BrO
Molecular Weight:
177.041 g/mol
Cas Number:
822-85-5
EINECS Number:
-
2-decyl-1-phenyl-2-propen-1-ol
Molecular Formula:
C
19
H
30
O
Molecular Weight:
274.447 g/mol
Cas Number:
-
EINECS Number:
-
(4Z)-9-butyl-8-hydroxy-4,9-decadienenitrile
Molecular Formula:
C
14
H
23
NO
Molecular Weight:
221.343 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylthiirane
Molecular Formula:
C
8
H
8
S
Molecular Weight:
136.218 g/mol
Cas Number:
-
EINECS Number:
-
7-methyl-3-methylene-6-octene-1,2-diol
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
1-nitropyrene
Molecular Formula:
C
16
H
9
NO
2
Molecular Weight:
247.253 g/mol
Cas Number:
5522-43-0
EINECS Number:
226-868-2
acetic thioanhydride
Molecular Formula:
C
4
H
6
O
2
S
Molecular Weight:
118.156 g/mol
Cas Number:
3232-39-1
EINECS Number:
-
2-(2-dimethylamino-1-methyl-ethyl)-propanedioic acid dimethyl ester
Molecular Formula:
C
10
H
19
NO
4
Molecular Weight:
217.265 g/mol
Cas Number:
-
EINECS Number:
-
3-(3-oxohexyl)cyclohexanone
Molecular Formula:
C
12
H
20
O
2
Molecular Weight:
196.29 g/mol
Cas Number:
-
EINECS Number:
-
3,5-diphenylisoxazole
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
2039-49-8
EINECS Number:
-
tetrahydrothiophene 1-oxide
Molecular Formula:
C
4
H
8
OS
Molecular Weight:
104.173 g/mol
Cas Number:
1600-44-8
EINECS Number:
216-493-2
o-tolyl-phenyl-methanethiol
Molecular Formula:
C
14
H
14
S
Molecular Weight:
214.331 g/mol
Cas Number:
-
EINECS Number:
-
6-bromo-1-hexanol
Molecular Formula:
C
6
H
13
BrO
Molecular Weight:
181.073 g/mol
Cas Number:
4286-55-9
EINECS Number:
-
3-methyl-2-methylene-3-buten-1-ol
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
-
EINECS Number:
-
1,3-cyclopentanedione
Molecular Formula:
C
5
H
6
O
2
Molecular Weight:
98.101 g/mol
Cas Number:
3859-41-4
EINECS Number:
223-372-8
1,3-Benzothiazole
Molecular Formula:
C
7
H
5
NS
Molecular Weight:
135.189 g/mol
Cas Number:
95-16-9
EINECS Number:
202-396-2
ethyl 4-cyclohexyl-4-oxobutanoate
Molecular Formula:
C
12
H
20
O
3
Molecular Weight:
212.289 g/mol
Cas Number:
54966-52-8
EINECS Number:
-
6-[(Z)-1,2-dichloroethenyl]-3-ethoxy-6-methyl-2-cyclohexen-1-one
Molecular Formula:
C
11
H
14
Cl
2
O
2
Molecular Weight:
249.136 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-hydroxyphenyl)-3-methylenecyclohexanone
Molecular Formula:
C
13
H
14
O
2
Molecular Weight:
202.253 g/mol
Cas Number:
-
EINECS Number:
-
methyl (3Z)-3-methyl-4-phenyl-3-butenoate
Molecular Formula:
C
12
H
14
O
2
Molecular Weight:
190.242 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(1,2-dimethyl-2-propenyl)-2-hydroxymalonate
Molecular Formula:
C
12
H
20
O
5
Molecular Weight:
244.288 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-[1-(1-cyclohexen-1-yl)ethyl]-2-hydroxymalonate
Molecular Formula:
C
15
H
24
O
5
Molecular Weight:
284.353 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-hydroxy-2-(2-phenyl-2-propenyl)malonate
Molecular Formula:
C
16
H
20
O
5
Molecular Weight:
292.332 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl (4Z)-2-oxo-4-heptenylphosphonate
Molecular Formula:
C
9
H
17
O
4
P
Molecular Weight:
220.205 g/mol
Cas Number:
-
EINECS Number:
-
[(2E)-2,4-pentadienylsulfinyl]benzene
Molecular Formula:
C
11
H
12
OS
Molecular Weight:
192.282 g/mol
Cas Number:
-
EINECS Number:
-
Psoralen
Molecular Formula:
C
11
H
6
O
3
Molecular Weight:
186.167 g/mol
Cas Number:
66-97-7
EINECS Number:
200-639-7
3-[4-(bromomethyl)phenyl]-3-(trifluoromethyl)-3H-diazirene
Molecular Formula:
C
9
H
6
BrF
3
N
2
Molecular Weight:
279.059 g/mol
Cas Number:
-
EINECS Number:
-
chlorocyclohexane
Molecular Formula:
C
6
H
11
Cl
Molecular Weight:
118.606 g/mol
Cas Number:
542-18-7
EINECS Number:
208-806-6
(3E,6E)-1,3,6-octatriene
Molecular Formula:
C
8
H
12
Molecular Weight:
108.183 g/mol
Cas Number:
22038-69-3
EINECS Number:
-
2-nitro-1-decene
Molecular Formula:
C
10
H
19
NO
2
Molecular Weight:
185.266 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-4-nitro-1,3-diphenyl-1-pentanone
Molecular Formula:
C
18
H
19
NO
3
Molecular Weight:
297.354 g/mol
Cas Number:
-
EINECS Number:
-
1-but-3-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Molecular Formula:
C
14
H
20
O
Molecular Weight:
204.312 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-oxobutyl)-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
Molecular Formula:
C
14
H
20
O
2
Molecular Weight:
220.312 g/mol
Cas Number:
-
EINECS Number:
-
2-aminobenzenethiol
Molecular Formula:
C
6
H
7
NS
Molecular Weight:
125.194 g/mol
Cas Number:
137-07-5
EINECS Number:
205-277-3
1-(2-methyl-2-nitropropyl)-4-nitrobenzene
Molecular Formula:
C
10
H
12
N
2
O
4
Molecular Weight:
224.216 g/mol
Cas Number:
5440-67-5
EINECS Number:
-
(3Z)-2,6-dimethyl-3-(methylsulfanyl)-3,5-heptadien-2-ol
Molecular Formula:
C
10
H
18
OS
Molecular Weight:
186.318 g/mol
Cas Number:
-
EINECS Number:
-
3,3-dimethyl-butylidene-cyclohexane
Molecular Formula:
C
12
H
22
Molecular Weight:
166.307 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1,2,3,3,4,4,5,5,5-nonafluoro-1-pentene
Molecular Formula:
C
5
HF
9
Molecular Weight:
232.049 g/mol
Cas Number:
-
EINECS Number:
-
1-butoxy-1-cyclopentene
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-4-methyl-6-propyl-1,2,3,6-tetrahydropyridine
Molecular Formula:
C
11
H
21
N
Molecular Weight:
167.294 g/mol
Cas Number:
-
EINECS Number:
-
Muscopyridine
Molecular Formula:
C
16
H
25
N
Molecular Weight:
231.381 g/mol
Cas Number:
501-08-6
EINECS Number:
-
3-propylanthra[1,2-b]furan-6,11-dione
Molecular Formula:
C
19
H
14
O
3
Molecular Weight:
290.318 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-5-methyl-1,4-nonadien-3-one
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-methylphenyl)-2-propen-1-one
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-3-buten-2-one
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
37442-55-0
EINECS Number:
-
1-(2-methylphenyl)ethanone
Molecular Formula:
C
9
H
10
O
Molecular Weight:
134.178 g/mol
Cas Number:
577-16-2
EINECS Number:
209-408-5
2'-Aminoacetophenone
Molecular Formula:
C
8
H
9
NO
Molecular Weight:
135.166 g/mol
Cas Number:
551-93-9
EINECS Number:
209-002-8
2'-Nitroacetophenone
Molecular Formula:
C
8
H
7
NO
3
Molecular Weight:
165.149 g/mol
Cas Number:
577-59-3
EINECS Number:
209-414-8
1-(2-methylphenyl)-2-propen-1-one
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
-
EINECS Number:
-
N-phenethyl-acetamide
Molecular Formula:
C
10
H
13
NO
Molecular Weight:
163.219 g/mol
Cas Number:
877-95-2
EINECS Number:
212-897-8
2-[(1E)-3-methyl-1-butenyl]tetrahydrofuran
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
-
EINECS Number:
-
2-[2-[2-([1,3]dioxolan-2-yl)-ethyl]-phenyl]-4,5-dihydro-oxazole
Molecular Formula:
C
14
H
17
NO
3
Molecular Weight:
247.294 g/mol
Cas Number:
-
EINECS Number:
-
methyl 5,6-dihydrobenzo[h]quinoline-4-carboxylate
Molecular Formula:
C
15
H
13
NO
2
Molecular Weight:
239.274 g/mol
Cas Number:
-
EINECS Number:
-
3-phenyl-2-butanone
Molecular Formula:
C
10
H
12
O
Molecular Weight:
148.205 g/mol
Cas Number:
769-59-5
EINECS Number:
-
2-methylcyclodecanone
Molecular Formula:
C
11
H
20
O
Molecular Weight:
168.279 g/mol
Cas Number:
-
EINECS Number:
-
3-tert-butylbicyclo[4.2.0]octan-7-one
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-1,4-diphenyl-2-butanone
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 6-hydroxy-4-oxo-6-phenylhexanoate
Molecular Formula:
C
14
H
18
O
4
Molecular Weight:
250.295 g/mol
Cas Number:
-
EINECS Number:
-
3-(3-hydroxypropyl)-2-cyclohexen-1-one
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
1-(3-hydroxypropyl)-4-isopropyl-2-cyclohexen-1-ol
Molecular Formula:
C
12
H
22
O
2
Molecular Weight:
198.305 g/mol
Cas Number:
-
EINECS Number:
-
1-oxaspiro[4.5]dec-6-ene
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
1-[2-[(E)-hex-2-enyl]-3-methoxyphenyl]pent-4-en-1-one
Molecular Formula:
C
18
H
24
O
2
Molecular Weight:
272.387 g/mol
Cas Number:
-
EINECS Number:
-
9-(trifluoroacetyl)-9-azabicyclo[6.1.0]nonane
Molecular Formula:
C
10
H
14
F
3
NO
Molecular Weight:
221.223 g/mol
Cas Number:
-
EINECS Number:
-
(4-methylene-2-phenylcyclopentyl)(phenyl)methanone
Molecular Formula:
C
19
H
18
O
Molecular Weight:
262.351 g/mol
Cas Number:
-
EINECS Number:
-
5-methylene-2,3,3a,4,6,6a-hexahydro-pentalen-1-one
Molecular Formula:
C
9
H
12
O
Molecular Weight:
136.194 g/mol
Cas Number:
-
EINECS Number:
-
3-allyl-5-methylcyclohexanone
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-4,4-diphenyl-1,3-dioxolane
Molecular Formula:
C
17
H
18
O
2
Molecular Weight:
254.329 g/mol
Cas Number:
-
EINECS Number:
-
4,5-dimethyl-1H-imidazole
Molecular Formula:
C
5
H
8
N
2
Molecular Weight:
96.132 g/mol
Cas Number:
2302-39-8
EINECS Number:
-
2-(1H-imidazol-5-yl)ethanol
Molecular Formula:
C
5
H
8
N
2
O
Molecular Weight:
112.131 g/mol
Cas Number:
872-82-2
EINECS Number:
-
1
2
3
4
5
6
7
8
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