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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 9
1-chloro-2-methylbenzene
Molecular Formula:
C
7
H
7
Cl
Molecular Weight:
126.585 g/mol
Cas Number:
95-49-8
EINECS Number:
202-424-3
2-(methoxymethyl)-6-methylcyclohexanone
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-6-methylenecyclohexanone
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
42858-50-4
EINECS Number:
-
3-ethoxy-2-methyl-1-phenyl-1-butanone
Molecular Formula:
C
13
H
18
O
2
Molecular Weight:
206.285 g/mol
Cas Number:
-
EINECS Number:
-
2-(methoxymethyl)cycloheptanone
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
2-methylenecycloheptanone
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
3045-99-6
EINECS Number:
-
3,4-Epoxy-cyclohexene
Molecular Formula:
C
6
H
8
O
Molecular Weight:
96.129 g/mol
Cas Number:
6705-51-7
EINECS Number:
-
isobutyl (methylsulfanyl)methyl sulfoxide
Molecular Formula:
C
6
H
14
OS
2
Molecular Weight:
166.309 g/mol
Cas Number:
69977-55-5
EINECS Number:
-
methyl 3-[5-(2-tert-butoxy-2-oxoethyl)-1H-pyrrol-2-yl]propanoate
Molecular Formula:
C
14
H
21
NO
4
Molecular Weight:
267.325 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-phenyl-3-butynyl)-1,3-dioxolane
Molecular Formula:
C
13
H
14
O
2
Molecular Weight:
202.253 g/mol
Cas Number:
-
EINECS Number:
-
1-(5-phenyl-1-propyl-3-pyrrolidinyl)ethanone
Molecular Formula:
C
15
H
21
NO
Molecular Weight:
231.338 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-3-carbonitrile
Molecular Formula:
C
7
H
8
N
2
O
Molecular Weight:
136.153 g/mol
Cas Number:
-
EINECS Number:
-
3-(phenylsulfonyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzisoxazole
Molecular Formula:
C
13
H
15
NO
3
S
Molecular Weight:
265.333 g/mol
Cas Number:
-
EINECS Number:
-
2,3-ditert-butyl-1,2-oxaziridine
Molecular Formula:
C
9
H
19
NO
Molecular Weight:
157.256 g/mol
Cas Number:
-
EINECS Number:
-
7,12-dimethylbenzo[a]anthracene-3,4-dione
Molecular Formula:
C
20
H
14
O
2
Molecular Weight:
286.33 g/mol
Cas Number:
70092-13-6
EINECS Number:
-
(8-methyl-2,7-cyclodecadien-1-yl)acetaldehyde
Molecular Formula:
C
13
H
20
O
Molecular Weight:
192.301 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-but-3-enyl-2-methylidenecyclopentyl)acetaldehyde
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1,4,8-trimethoxy-3-methyl-2-naphthoate
Molecular Formula:
C
16
H
18
O
5
Molecular Weight:
290.316 g/mol
Cas Number:
-
EINECS Number:
-
(5,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)acetaldehyde
Molecular Formula:
C
14
H
16
O
4
Molecular Weight:
248.279 g/mol
Cas Number:
-
EINECS Number:
-
6-butyl-6-phenyl-3,4-decadien-2-one
Molecular Formula:
C
20
H
28
O
Molecular Weight:
284.442 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexen-1-ylbenzene
Molecular Formula:
C
12
H
14
Molecular Weight:
158.243 g/mol
Cas Number:
771-98-2
EINECS Number:
212-242-6
1-phenylnaphthalene
Molecular Formula:
C
16
H
12
Molecular Weight:
204.271 g/mol
Cas Number:
605-02-7
EINECS Number:
210-081-6
2-(1-oxido-3,4-dihydro-2H-pyrrol-5-yl)-1-phenylethanol
Molecular Formula:
C
12
H
15
NO
2
Molecular Weight:
205.257 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-1-cyclohexene
Molecular Formula:
C
6
H
9
Cl
Molecular Weight:
116.59 g/mol
Cas Number:
2441-97-6
EINECS Number:
-
1-(1-cyclobuten-1-yl)-4-methyl-2-pentanol
Molecular Formula:
C
10
H
18
O
Molecular Weight:
154.252 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-6-methylene-7-octen-4-ol
Molecular Formula:
C
10
H
18
O
Molecular Weight:
154.252 g/mol
Cas Number:
14314-21-7
EINECS Number:
-
3,3-dimethylbicyclo[3.2.0]heptan-2-ol
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dimethyl-2-cyclopenten-1-one
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
-
EINECS Number:
-
N,N,6-trimethyl-1-cyclohexene-1-carboxamide
Molecular Formula:
C
10
H
17
NO
Molecular Weight:
167.251 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl-2-methylene-3-butenamide
Molecular Formula:
C
7
H
11
NO
Molecular Weight:
125.17 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)isoindole-1,3-dione
Molecular Formula:
C
15
H
14
N
2
O
3
Molecular Weight:
270.288 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienoate
Molecular Formula:
C
16
H
26
O
2
Molecular Weight:
250.381 g/mol
Cas Number:
10485-70-8
EINECS Number:
-
methyl (2E,6E,10E)-12-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrienoate
Molecular Formula:
C
16
H
26
O
3
Molecular Weight:
266.381 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-(phenylsulfanyl)-2-cyclopenten-1-yl acetate
Molecular Formula:
C
14
H
16
O
2
S
Molecular Weight:
248.346 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylsulfanyl-cyclopent-2-en-1-one
Molecular Formula:
C
11
H
10
OS
Molecular Weight:
190.266 g/mol
Cas Number:
-
EINECS Number:
-
2-(phenylsulfanyl)-2-cyclopenten-1-yl acetate
Molecular Formula:
C
13
H
14
O
2
S
Molecular Weight:
234.319 g/mol
Cas Number:
-
EINECS Number:
-
(2-phenylsulfanyl-1-cyclopent-2-enyl)-benzene
Molecular Formula:
C
17
H
16
S
Molecular Weight:
252.38 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-4-hepten-3-ol
Molecular Formula:
C
7
H
14
O
Molecular Weight:
114.188 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 6-azaspiro[2.5]octa-4,7-diene-6-carboxylate
Molecular Formula:
C
10
H
13
NO
2
Molecular Weight:
179.219 g/mol
Cas Number:
-
EINECS Number:
-
4,4-dimethyl-1-pentene
Molecular Formula:
C
7
H
14
Molecular Weight:
98.188 g/mol
Cas Number:
762-62-9
EINECS Number:
212-101-9
1,5-diphenyl-2-pentanone
Molecular Formula:
C
17
H
18
O
Molecular Weight:
238.329 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-5-methyl-3-(phenylsulfanyl-methyl)-hexan-2-one
Molecular Formula:
C
14
H
20
O
2
S
Molecular Weight:
252.378 g/mol
Cas Number:
-
EINECS Number:
-
(E)-4-methyl-2-(phenylsulfanyl-methyl)-pent-2-enoic acid methyl ester
Molecular Formula:
C
14
H
18
O
2
S
Molecular Weight:
250.362 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-hydroxy-4-methyl-2-methylidenepentanoate
Molecular Formula:
C
8
H
14
O
3
Molecular Weight:
158.197 g/mol
Cas Number:
-
EINECS Number:
-
3-(benzenesulfonylmethyl)-5,5-dimethyloxolan-2-one
Molecular Formula:
C
13
H
16
O
4
S
Molecular Weight:
268.334 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dimethyl-3-methylideneoxolan-2-one
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
-
EINECS Number:
-
(1Z)-1-bromo-1-chloro-1-hexene
Molecular Formula:
C
6
H
10
BrCl
Molecular Weight:
197.502 g/mol
Cas Number:
-
EINECS Number:
-
[(Z)-2-chloro-2-iodoethenyl]cyclohexane
Molecular Formula:
C
8
H
12
ClI
Molecular Weight:
270.54 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1-chloro-1-octene
Molecular Formula:
C
8
H
15
Cl
Molecular Weight:
146.66 g/mol
Cas Number:
-
EINECS Number:
-
1-heptene
Molecular Formula:
C
7
H
14
Molecular Weight:
98.188 g/mol
Cas Number:
592-76-7
EINECS Number:
209-767-8
6,6-dimethyl-2-neopentyl-1-heptene
Molecular Formula:
C
14
H
28
Molecular Weight:
196.376 g/mol
Cas Number:
-
EINECS Number:
-
S-(4-oxo-2-azetidinyl) benzenecarbothioate
Molecular Formula:
C
10
H
9
NO
2
S
Molecular Weight:
207.253 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-methylenecyclopentanecarboxylate
Molecular Formula:
C
8
H
12
O
2
Molecular Weight:
140.182 g/mol
Cas Number:
-
EINECS Number:
-
(4-methylenecyclohexyl)benzene
Molecular Formula:
C
13
H
16
Molecular Weight:
172.27 g/mol
Cas Number:
-
EINECS Number:
-
3-[2-(1(6H)-pyridinyl)ethyl]-1H-indole
Molecular Formula:
C
15
H
16
N
2
Molecular Weight:
224.306 g/mol
Cas Number:
-
EINECS Number:
-
1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine
Molecular Formula:
C
15
H
16
N
2
Molecular Weight:
224.306 g/mol
Cas Number:
-
EINECS Number:
-
(3-hydroxy-pyrrolidin-1-yl)-(6-vinyl-1,3-benzodioxol-5-yl)-methanone
Molecular Formula:
C
14
H
15
NO
4
Molecular Weight:
261.277 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-(phenylsulfinyl)cyclobutanecarboxylate
Molecular Formula:
C
12
H
14
O
3
S
Molecular Weight:
238.307 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-cyclobutene-1-carboxylate
Molecular Formula:
C
6
H
8
O
2
Molecular Weight:
112.128 g/mol
Cas Number:
-
EINECS Number:
-
4-methylamino-1-pyridin-3-ylbutan-1-one
Molecular Formula:
C
10
H
14
N
2
O
Molecular Weight:
178.234 g/mol
Cas Number:
2055-23-4
EINECS Number:
-
5-fluoro-4-pyrenyl acetate
Molecular Formula:
C
18
H
11
FO
2
Molecular Weight:
278.283 g/mol
Cas Number:
-
EINECS Number:
-
5,5-difluoro-pyren-4-one
Molecular Formula:
C
16
H
8
F
2
O
Molecular Weight:
254.236 g/mol
Cas Number:
-
EINECS Number:
-
5,6-dimethyl-2H-pyran-2-one
Molecular Formula:
C
7
H
8
O
2
Molecular Weight:
124.139 g/mol
Cas Number:
-
EINECS Number:
-
1-furan-3-yl-7-hydroxy-4,8-dimethylnonane-1,6-dione
Molecular Formula:
C
15
H
22
O
4
Molecular Weight:
266.337 g/mol
Cas Number:
52259-61-7
EINECS Number:
-
1,1,2-trimethyl-propyl-benzene
Molecular Formula:
C
12
H
18
Molecular Weight:
162.275 g/mol
Cas Number:
-
EINECS Number:
-
5-isopropenyl-2,2-dimethylcyclohexanone
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexyl-3-hydroxyacetone
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
Molecular Formula:
C
8
H
13
NO
2
Molecular Weight:
155.197 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
Molecular Formula:
C
11
H
14
O
4
Molecular Weight:
210.23 g/mol
Cas Number:
-
EINECS Number:
-
methyl (3-ethyl-4-pyridinyl)acetate
Molecular Formula:
C
10
H
13
NO
2
Molecular Weight:
179.219 g/mol
Cas Number:
-
EINECS Number:
-
2-bromo-1,1-dimethylcyclopropane
Molecular Formula:
C
5
H
9
Br
Molecular Weight:
149.03 g/mol
Cas Number:
-
EINECS Number:
-
methyl 7-(5-oxo-1-cyclopenten-1-yl)heptanoate
Molecular Formula:
C
13
H
20
O
3
Molecular Weight:
224.3 g/mol
Cas Number:
34546-57-1
EINECS Number:
-
1-phenylsulfanyl-pentan-2-one
Molecular Formula:
C
11
H
14
OS
Molecular Weight:
194.298 g/mol
Cas Number:
-
EINECS Number:
-
1,2-diphenylethanol
Molecular Formula:
C
14
H
14
O
Molecular Weight:
198.265 g/mol
Cas Number:
614-29-9
EINECS Number:
-
2-phenylsulfanyl-hexan-3-one
Molecular Formula:
C
12
H
16
OS
Molecular Weight:
208.324 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1-(3-furyl)-4,8-dimethyl-3,7-nonadien-1-ol
Molecular Formula:
C
15
H
22
O
2
Molecular Weight:
234.338 g/mol
Cas Number:
-
EINECS Number:
-
Dendrolasin
Molecular Formula:
C
15
H
22
O
Molecular Weight:
218.339 g/mol
Cas Number:
23262-34-2
EINECS Number:
-
2-(4,4-dimethoxy-2,5-cyclohexadien-1-ylidene)-N,N-dimethylacetamide
Molecular Formula:
C
12
H
17
NO
3
Molecular Weight:
223.272 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-2-(4-methoxyphenyl)-N,N-dimethylacetamide
Molecular Formula:
C
12
H
17
NO
3
Molecular Weight:
223.272 g/mol
Cas Number:
-
EINECS Number:
-
1,4-diphenylnaphthalene
Molecular Formula:
C
22
H
16
Molecular Weight:
280.369 g/mol
Cas Number:
796-30-5
EINECS Number:
-
Neopentyl iodide
Molecular Formula:
C
5
H
11
I
Molecular Weight:
198.047 g/mol
Cas Number:
15501-33-4
EINECS Number:
239-533-0
2,4-dimethyl-2-(1-methyl-1H-pyrrol-3-yl)-3-pentanone
Molecular Formula:
C
12
H
19
NO
Molecular Weight:
193.289 g/mol
Cas Number:
-
EINECS Number:
-
2,7-dimethyl-2,4,6-cycloheptatrien-1-one
Molecular Formula:
C
9
H
10
O
Molecular Weight:
134.178 g/mol
Cas Number:
-
EINECS Number:
-
bicyclo[9.4.1]hexadeca-1(15),11,13-trien-16-one
Molecular Formula:
C
16
H
22
O
Molecular Weight:
230.35 g/mol
Cas Number:
-
EINECS Number:
-
3,5-dimethylbicyclo[5.1.0]octa-2,5-dien-4-one
Molecular Formula:
C
10
H
12
O
Molecular Weight:
148.205 g/mol
Cas Number:
-
EINECS Number:
-
4-bromo-2,7-dimethyl-2,4,6-cycloheptatrien-1-one
Molecular Formula:
C
9
H
9
BrO
Molecular Weight:
213.074 g/mol
Cas Number:
-
EINECS Number:
-
2,4,7-trimethyl-2,4,6-cycloheptatrien-1-one
Molecular Formula:
C
10
H
12
O
Molecular Weight:
148.205 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dimethyl-3,3-diphenylcyclopentanone
Molecular Formula:
C
19
H
20
O
Molecular Weight:
264.367 g/mol
Cas Number:
-
EINECS Number:
-
2,4,4-trimethyl-2-phenyl-5-propan-2-ylideneoxolane
Molecular Formula:
C
16
H
22
O
Molecular Weight:
230.35 g/mol
Cas Number:
-
EINECS Number:
-
1,3-dimethylazulene
Molecular Formula:
C
12
H
12
Molecular Weight:
156.227 g/mol
Cas Number:
-
EINECS Number:
-
1,1,3,3-tetramethyl-7a-morpholino-4,5,6,7-tetrahydro-3aH-inden-2-one
Molecular Formula:
C
17
H
29
NO
2
Molecular Weight:
279.423 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-6-isopropenyl-3-methyl-3,9-decadienyl acetate
Molecular Formula:
C
16
H
26
O
2
Molecular Weight:
250.381 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-3-methyl-3-octen-1-ol
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-isopropenyl-pentoxy-methyl)-cyclohexan-1-ol
Molecular Formula:
C
15
H
28
O
2
Molecular Weight:
240.386 g/mol
Cas Number:
-
EINECS Number:
-
2-cyclohexen-1-ylmethanol
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-isopropenyl-5-hexenoate
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
3-(bromomethyl)-2-methyl-1,6-heptadiene
Molecular Formula:
C
9
H
15
Br
Molecular Weight:
203.122 g/mol
Cas Number:
-
EINECS Number:
-
5-isopropenyl-2-methyl-1,8-nonadien-3-ol
Molecular Formula:
C
13
H
22
O
Molecular Weight:
194.317 g/mol
Cas Number:
-
EINECS Number:
-
3-[(2E)-3-methoxy-2-propenyl]cyclopentanone
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-octene
Molecular Formula:
C
9
H
18
Molecular Weight:
126.242 g/mol
Cas Number:
4588-18-5
EINECS Number:
-
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