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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 62
3-methylene-1-isoindolinone
Molecular Formula:
C
9
H
7
NO
Molecular Weight:
145.161 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-3-benzylidene-2,3-dihydro-1H-isoindol-1-one
Molecular Formula:
C
15
H
11
NO
Molecular Weight:
221.258 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-hydroxy-1-methylcyclopentyl)ethanone
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
2-benzyl-1-phenyl-2-hexanol
Molecular Formula:
C
19
H
24
O
Molecular Weight:
268.399 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-2,4-diphenyl-3-buten-2-ol
Molecular Formula:
C
16
H
16
O
Molecular Weight:
224.302 g/mol
Cas Number:
56763-56-5
EINECS Number:
-
(5E)-7-amino-7-phenyl-5-heptenenitrile
Molecular Formula:
C
13
H
16
N
2
Molecular Weight:
200.284 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-(2-furyl)-3-phenyl-2-propen-1-amine
Molecular Formula:
C
13
H
13
NO
Molecular Weight:
199.252 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-N-methyl-1-phenyl-2-hepten-1-amine
Molecular Formula:
C
14
H
21
N
Molecular Weight:
203.327 g/mol
Cas Number:
-
EINECS Number:
-
N-methyl-N-[(2E)-1-phenyl-2-heptenyl]acetamide
Molecular Formula:
C
16
H
23
NO
Molecular Weight:
245.365 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-ethylidene-N-methyl-3,4-dihydro-2H-chromen-4-amine
Molecular Formula:
C
12
H
15
NO
Molecular Weight:
189.257 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-2-oxaspiro[5.5]undecan-3-one
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
4,6,7,8,8a,8b-hexahydro-3H-naphtho[1,8-bc]furan
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
8-methyl-9-vinyl-1,5-dithiaspiro[5.5]undec-8-en-7-one
Molecular Formula:
C
12
H
16
OS
2
Molecular Weight:
240.39 g/mol
Cas Number:
-
EINECS Number:
-
2,3-diphenyl-1-naphthol
Molecular Formula:
C
22
H
16
O
Molecular Weight:
296.368 g/mol
Cas Number:
-
EINECS Number:
-
2-dec-9-enyl-4-methylideneoxolane
Molecular Formula:
C
15
H
26
O
Molecular Weight:
222.371 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-4-methylene-2-(phenylethynyl)tetrahydrofuran
Molecular Formula:
C
14
H
14
O
Molecular Weight:
198.265 g/mol
Cas Number:
-
EINECS Number:
-
triethyl 3-cyano-2-methyl-1,1,3-propanetricarboxylate
Molecular Formula:
C
14
H
21
NO
6
Molecular Weight:
299.324 g/mol
Cas Number:
-
EINECS Number:
-
2-cyclohexylidenemalononitrile
Molecular Formula:
C
9
H
10
N
2
Molecular Weight:
146.192 g/mol
Cas Number:
4354-73-8
EINECS Number:
-
methyl 6-methyl-2-oxobicyclo[3.1.0]hexane-1-carboxylate
Molecular Formula:
C
9
H
12
O
3
Molecular Weight:
168.192 g/mol
Cas Number:
-
EINECS Number:
-
4-butyl-4-pentenenitrile
Molecular Formula:
C
9
H
15
N
Molecular Weight:
137.225 g/mol
Cas Number:
-
EINECS Number:
-
1-[(Z)-(2-methylenecyclohexylidene)methyl]naphthalene
Molecular Formula:
C
18
H
18
Molecular Weight:
234.341 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-tert-butyl-5-oxo-2-pyrrolidinecarboxylate
Molecular Formula:
C
10
H
17
NO
3
Molecular Weight:
199.25 g/mol
Cas Number:
-
EINECS Number:
-
(1-tert-butyl-5-oxo-2-pyrrolidinyl)methyl acetate
Molecular Formula:
C
11
H
19
NO
3
Molecular Weight:
213.277 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-3-phenyl-2-pyrrolidinone
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
54520-82-0
EINECS Number:
-
1-tert-butyl-5-methylol-2-pyrrolidone
Molecular Formula:
C
9
H
17
NO
2
Molecular Weight:
171.24 g/mol
Cas Number:
-
EINECS Number:
-
4,5-dimethyl-1,3,6,7-tetrahydro-2H-azepin-2-one
Molecular Formula:
C
8
H
13
NO
Molecular Weight:
139.197 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 1-oxo-1,3-dihydro-2H-indene-2,2-dicarboxylate
Molecular Formula:
C
15
H
16
O
5
Molecular Weight:
276.289 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-oxo-3-cyclopentene-1,1-dicarboxylate
Molecular Formula:
C
11
H
14
O
5
Molecular Weight:
226.229 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 4-methyl-2-oxo-3-cyclopentene-1,1-dicarboxylate
Molecular Formula:
C
12
H
16
O
5
Molecular Weight:
240.256 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 5-phenyl-3H-1,2-dithiole-4-carboxylate 1-oxide
Molecular Formula:
C
12
H
12
O
3
S
2
Molecular Weight:
268.357 g/mol
Cas Number:
-
EINECS Number:
-
3-(2,3,4,5,6-pentafluorophenyl)cyclohexanone
Molecular Formula:
C
12
H
9
F
5
O
Molecular Weight:
264.195 g/mol
Cas Number:
-
EINECS Number:
-
butyl benzoate
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
136-60-7
EINECS Number:
205-252-7
2-methylene-3-cyclotetradecyn-1-ol
Molecular Formula:
C
15
H
24
O
Molecular Weight:
220.355 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 3-butyl-4-methylene-1,1-cyclopentanedicarboxylate
Molecular Formula:
C
14
H
22
O
4
Molecular Weight:
254.326 g/mol
Cas Number:
-
EINECS Number:
-
5-hydroxypentyl acetate
Molecular Formula:
C
7
H
14
O
3
Molecular Weight:
146.186 g/mol
Cas Number:
-
EINECS Number:
-
3-butyl-6,6-dimethyl-2,3,4,5-tetrahydro-pentalen-1-one
Molecular Formula:
C
14
H
22
O
Molecular Weight:
206.328 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-buta-1,3-dienyl-benzene
Molecular Formula:
C
16
H
14
Molecular Weight:
206.287 g/mol
Cas Number:
4165-81-5
EINECS Number:
-
1-methylsulfinyl-decane
Molecular Formula:
C
11
H
24
OS
Molecular Weight:
204.377 g/mol
Cas Number:
3079-28-5
EINECS Number:
-
ethyl 2,2,5-trimethyl-1,3-dioxole-4-carboxylate
Molecular Formula:
C
9
H
14
O
4
Molecular Weight:
186.208 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1-(methylsulfinyl)-3-heptene
Molecular Formula:
C
8
H
16
OS
Molecular Weight:
160.28 g/mol
Cas Number:
-
EINECS Number:
-
1-methylsulfinyl-heptane
Molecular Formula:
C
8
H
18
OS
Molecular Weight:
162.296 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-2,2,5,5-tetramethyl-3-hexanone
Molecular Formula:
C
10
H
20
O
2
Molecular Weight:
172.268 g/mol
Cas Number:
815-66-7
EINECS Number:
-
5-(2-dimethylaminoethyl)-5-methyl-2-phenylcyclopent-2-en-1-one
Molecular Formula:
C
16
H
21
NO
Molecular Weight:
243.349 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-2-(1-phenylethyl)malononitrile
Molecular Formula:
C
14
H
14
N
2
Molecular Weight:
210.279 g/mol
Cas Number:
-
EINECS Number:
-
4-benzyl-4H-1,3-dioxine
Molecular Formula:
C
11
H
12
O
2
Molecular Weight:
176.215 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-4-phenyl-2-butenal
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-4,8-dimethyl-2,7-nonadienal
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
6,6-dimethyl-1-vinyl-4,8-dioxaspiro[2.5]octane
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
8,8-dimethyl-6,10-dioxaspiro[4.5]dec-2-ene
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
8,8-dimethyl-2-phenyl-6,10-dioxaspiro[4.5]dec-2-ene
Molecular Formula:
C
16
H
20
O
2
Molecular Weight:
244.334 g/mol
Cas Number:
-
EINECS Number:
-
1-(1,3-benzodioxol-5-yl)-2-hexyn-1-one
Molecular Formula:
C
13
H
12
O
3
Molecular Weight:
216.236 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-N-phenylmethoxypropan-1-amine
Molecular Formula:
C
12
H
19
NO
Molecular Weight:
193.289 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexyl-N-phenylmethoxymethanamine
Molecular Formula:
C
14
H
21
NO
Molecular Weight:
219.327 g/mol
Cas Number:
-
EINECS Number:
-
1-(9H-fluoren-9-yl)ethanone
Molecular Formula:
C
15
H
12
O
Molecular Weight:
208.26 g/mol
Cas Number:
-
EINECS Number:
-
benzenecarbothialdehyde
Molecular Formula:
C
7
H
6
S
Molecular Weight:
122.191 g/mol
Cas Number:
-
EINECS Number:
-
2-(dimethylamino)-N-(4-methoxyphenyl)acetamide
Molecular Formula:
C
11
H
16
N
2
O
2
Molecular Weight:
208.26 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-(1-allyl-1,2-dihydro-isoquinolin-2-yl)-penta-2,4-dien-1-one
Molecular Formula:
C
17
H
17
NO
Molecular Weight:
251.328 g/mol
Cas Number:
-
EINECS Number:
-
2,4-diazadispiro[5.0.5.3]pentadeca-8,11-diene-1,3,5,10-tetrone
Molecular Formula:
C
13
H
12
N
2
O
4
Molecular Weight:
260.249 g/mol
Cas Number:
-
EINECS Number:
-
9,9-dimethylspiro[4.5]decan-7-one
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
spiro[5.5]undecan-2-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
1781-81-3
EINECS Number:
-
1-methylenespiro[4.5]decan-7-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-cyclohexyl-2,4-pentadien-1-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
(2E,4E)-1-(3-cyclohexen-1-yl)-2,4-heptadien-1-one
Molecular Formula:
C
13
H
18
O
Molecular Weight:
190.285 g/mol
Cas Number:
-
EINECS Number:
-
(1E,4E,6E)-1-phenyl-1,4,6-nonatrien-3-one
Molecular Formula:
C
15
H
16
O
Molecular Weight:
212.291 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dimethyl-4,5,6,7-tetrahydro-2-benzothiophene
Molecular Formula:
C
10
H
14
S
Molecular Weight:
166.287 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1,4,5,6,7,7a-hexahydro-2-benzothiophene
Molecular Formula:
C
9
H
14
S
Molecular Weight:
154.276 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethyl-1-phenyl-2,5-dihydro-1H-phosphole
Molecular Formula:
C
12
H
15
P
Molecular Weight:
190.225 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-4,5,6,7-tetrahydro-2,1-benzisothiazole
Molecular Formula:
C
8
H
11
NS
Molecular Weight:
153.248 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-methoxyphenyl)-2,3,4,5,6,7-hexahydro-1H-indene
Molecular Formula:
C
16
H
20
O
Molecular Weight:
228.334 g/mol
Cas Number:
-
EINECS Number:
-
1-ethyl-3-methylbenzene
Molecular Formula:
C
9
H
12
Molecular Weight:
120.194 g/mol
Cas Number:
620-14-4
EINECS Number:
210-626-8
ethyl 3-oxocyclohexanecarboxylate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
33668-25-6
EINECS Number:
251-626-8
5-benzyl-3-butyl-5H-furan-2-one
Molecular Formula:
C
15
H
18
O
2
Molecular Weight:
230.307 g/mol
Cas Number:
-
EINECS Number:
-
4-(phenylsulfonyl)-2-butanone
Molecular Formula:
C
10
H
12
O
3
S
Molecular Weight:
212.269 g/mol
Cas Number:
-
EINECS Number:
-
3-(1-cyclohexen-1-yl)-3,5,5-trimethylcyclohexanone
Molecular Formula:
C
15
H
24
O
Molecular Weight:
220.355 g/mol
Cas Number:
-
EINECS Number:
-
3-vinylcyclohexanone
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
-
EINECS Number:
-
3-(1-ethoxyvinyl)-4-isopropylcyclohexanone
Molecular Formula:
C
13
H
22
O
2
Molecular Weight:
210.316 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E)-3-(4-acetylphenyl)-2-propenoate
Molecular Formula:
C
13
H
14
O
3
Molecular Weight:
218.252 g/mol
Cas Number:
-
EINECS Number:
-
2-bicyclo[3.1.0]hex-1-yl-1-cyclopenten-1-yl methyl ether
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-ethylidene-6-vinyltetrahydro-2H-pyran-2-one
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
67693-94-1
EINECS Number:
-
1-propynyl benzoate
Molecular Formula:
C
10
H
8
O
2
Molecular Weight:
160.172 g/mol
Cas Number:
112270-91-4
EINECS Number:
-
3-(4-acetylbenzyl)-2-decanone
Molecular Formula:
C
19
H
28
O
2
Molecular Weight:
288.43 g/mol
Cas Number:
-
EINECS Number:
-
isopropyl 3-(2-oxo-2H-chromen-4-yl)propanoate
Molecular Formula:
C
15
H
16
O
4
Molecular Weight:
260.29 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-acetylbenzyl)cyclohexanone
Molecular Formula:
C
15
H
18
O
2
Molecular Weight:
230.307 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-naphthalen-1-ylpentan-3-one
Molecular Formula:
C
16
H
18
O
Molecular Weight:
226.318 g/mol
Cas Number:
-
EINECS Number:
-
4-vinyl-cyclopentane-1,3-dicarboxylic acid ditert-butyl ester
Molecular Formula:
C
17
H
28
O
4
Molecular Weight:
296.407 g/mol
Cas Number:
-
EINECS Number:
-
benzyl 2,4,4-trimethylpentanoate
Molecular Formula:
C
15
H
22
O
2
Molecular Weight:
234.338 g/mol
Cas Number:
-
EINECS Number:
-
2-methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione
Molecular Formula:
C
8
H
12
N
2
O
2
Molecular Weight:
168.196 g/mol
Cas Number:
-
EINECS Number:
-
methyl (1-benzyl-3-methyl-2-oxohexahydro-4-pyrimidinyl)acetate
Molecular Formula:
C
15
H
20
N
2
O
3
Molecular Weight:
276.335 g/mol
Cas Number:
-
EINECS Number:
-
2,7,7-trimethylhexahydro-1H-pyrido[1,2-c]pyrimidine-1,3(2H)-dione
Molecular Formula:
C
11
H
18
N
2
O
2
Molecular Weight:
210.276 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2,5-hexadien-1-ol
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-methyl-2,5-hexadien-1-ol
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
-
EINECS Number:
-
1-nonen-4-ol
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
35192-73-5
EINECS Number:
-
11-hydroxy-13-tetradecen-2-one
Molecular Formula:
C
14
H
26
O
2
Molecular Weight:
226.359 g/mol
Cas Number:
-
EINECS Number:
-
9-propionyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
Molecular Formula:
C
12
H
18
O
3
Molecular Weight:
210.273 g/mol
Cas Number:
-
EINECS Number:
-
3-methylene-1-(phenylsulfonyl)indoline
Molecular Formula:
C
15
H
13
NO
2
S
Molecular Weight:
271.34 g/mol
Cas Number:
-
EINECS Number:
-
1-ethenylsulfanyl-4-nitrobenzene
Molecular Formula:
C
8
H
7
NO
2
S
Molecular Weight:
181.215 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylsulfanyl-octanal
Molecular Formula:
C
14
H
20
OS
Molecular Weight:
236.378 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 6-methyl-4-oxo-5-heptenoate
Molecular Formula:
C
10
H
16
O
3
Molecular Weight:
184.235 g/mol
Cas Number:
-
EINECS Number:
-
7-methoxy-7-(3-methoxyphenyl)-4-methyl-1-hepten-3-one
Molecular Formula:
C
16
H
22
O
3
Molecular Weight:
262.349 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 9-(2-cyanoethyl)-1,4-dioxaspiro[4.4]nonane-7,7-dicarboxylate
Molecular Formula:
C
14
H
19
NO
6
Molecular Weight:
297.308 g/mol
Cas Number:
-
EINECS Number:
-
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