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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 12
1-vinyl-pentyl-benzene
Molecular Formula:
C
13
H
18
Molecular Weight:
174.286 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-heptene
Molecular Formula:
C
8
H
16
Molecular Weight:
112.215 g/mol
Cas Number:
4810-09-7
EINECS Number:
-
1a,9b-dihydrobenzo[f]oxireno[2,3-h]quinoline
Molecular Formula:
C
13
H
9
NO
Molecular Weight:
195.221 g/mol
Cas Number:
65115-90-4
EINECS Number:
-
4-[(1E)-2-methyl-1-butenyl]morpholine
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
-
EINECS Number:
-
4-[(1Z)-1-tert-butyl-1-propenyl]morpholine
Molecular Formula:
C
11
H
21
NO
Molecular Weight:
183.294 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-3,6-phosphepanedione 1-oxide
Molecular Formula:
C
7
H
11
O
3
P
Molecular Weight:
174.136 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-[(benzylamino)methylene]dihydro-2H-pyran-2,4(3H)-dione
Molecular Formula:
C
13
H
13
NO
3
Molecular Weight:
231.251 g/mol
Cas Number:
-
EINECS Number:
-
2-hexylcyclopentanone
Molecular Formula:
C
11
H
20
O
Molecular Weight:
168.279 g/mol
Cas Number:
13074-65-2
EINECS Number:
235-970-6
5-methyl-4-hexenal
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
-
EINECS Number:
-
N-(2-cyclohexen-1-yl)-4-methylbenzenesulfonamide
Molecular Formula:
C
13
H
17
NO
2
S
Molecular Weight:
251.35 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-5-oxo-5-phenylpentanenitrile
Molecular Formula:
C
13
H
15
NO
Molecular Weight:
201.268 g/mol
Cas Number:
-
EINECS Number:
-
1-cyano-4-methyl-1-phenylpentyl ethaneperoxoate
Molecular Formula:
C
15
H
19
NO
3
Molecular Weight:
261.321 g/mol
Cas Number:
-
EINECS Number:
-
phenyl(2-vinylphenyl)methanone
Molecular Formula:
C
15
H
12
O
Molecular Weight:
208.26 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dichlorobenzoic acid
Molecular Formula:
C
7
H
4
Cl
2
O
2
Molecular Weight:
191.013 g/mol
Cas Number:
51-44-5
EINECS Number:
200-099-2
N-(1-methylethylidene)-6,6a-dihydrocyclopropa[a]inden-1a(1H)-amine
Molecular Formula:
C
13
H
15
N
Molecular Weight:
185.269 g/mol
Cas Number:
-
EINECS Number:
-
pivalic acid
Molecular Formula:
C
5
H
10
O
2
Molecular Weight:
102.133 g/mol
Cas Number:
75-98-9
EINECS Number:
200-922-5
1-oxido-2-pyrazinyl azide
Molecular Formula:
C
4
H
3
N
5
O
Molecular Weight:
137.101 g/mol
Cas Number:
-
EINECS Number:
-
1-hydroxy-1H-imidazole-2-carbonitrile
Molecular Formula:
C
4
H
3
N
3
O
Molecular Weight:
109.087 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-iodobenzoate
Molecular Formula:
C
9
H
9
IO
2
Molecular Weight:
276.074 g/mol
Cas Number:
58313-23-8
EINECS Number:
-
5-(2-methyl-2-propenyl)-2,4(1H,3H)-pyrimidinedione
Molecular Formula:
C
8
H
10
N
2
O
2
Molecular Weight:
166.18 g/mol
Cas Number:
-
EINECS Number:
-
hexyl laurate
Molecular Formula:
C
18
H
36
O
2
Molecular Weight:
284.483 g/mol
Cas Number:
34316-64-8
EINECS Number:
-
dimethyl 2-octylsuccinate
Molecular Formula:
C
14
H
26
O
4
Molecular Weight:
258.358 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-phenylsuccinate
Molecular Formula:
C
12
H
14
O
4
Molecular Weight:
222.241 g/mol
Cas Number:
15463-92-0
EINECS Number:
-
dimethyl 2-butylsuccinate
Molecular Formula:
C
10
H
18
O
4
Molecular Weight:
202.251 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-methoxy-4-methylhexanoate
Molecular Formula:
C
9
H
18
O
3
Molecular Weight:
174.24 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-isobutylsuccinate
Molecular Formula:
C
10
H
18
O
4
Molecular Weight:
202.251 g/mol
Cas Number:
-
EINECS Number:
-
3,3,6,6-tetramethyl-4,5-dimethylene-3,4,5,6-tetrahydropyridazine
Molecular Formula:
C
10
H
16
N
2
Molecular Weight:
164.251 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-methyl-2-butenyl)-1,4-benzenediol
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
5919-91-5
EINECS Number:
-
(3Z)-2-methyl-3-penten-2-ol
Molecular Formula:
C
6
H
12
O
Molecular Weight:
100.161 g/mol
Cas Number:
63468-05-3
EINECS Number:
-
1-benzyl-1,2-dihydropyridine
Molecular Formula:
C
12
H
13
N
Molecular Weight:
171.242 g/mol
Cas Number:
-
EINECS Number:
-
2-phenyl-2,5-dihydro-1,3-oxazole
Molecular Formula:
C
9
H
9
NO
Molecular Weight:
147.177 g/mol
Cas Number:
-
EINECS Number:
-
N-(oxolan-2-yl)-1-phenylmethanimine
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
-
EINECS Number:
-
7-methoxy-2-methyl-1H-indole
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
53512-46-2
EINECS Number:
-
methyl 1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Molecular Formula:
C
17
H
18
N
2
O
2
Molecular Weight:
282.342 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-2-methoxy-1-methyl-4-oxo-3-azetidinecarbonitrile
Molecular Formula:
C
6
H
7
ClN
2
O
2
Molecular Weight:
174.587 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-3,3-diphenyloxirane
Molecular Formula:
C
16
H
16
O
Molecular Weight:
224.302 g/mol
Cas Number:
-
EINECS Number:
-
3-(4-oxopentyl)-1,4-dithiepan-2-one
Molecular Formula:
C
10
H
16
O
2
S
2
Molecular Weight:
232.368 g/mol
Cas Number:
-
EINECS Number:
-
2-isopropenyl-1,1-dimethylcyclobutane
Molecular Formula:
C
9
H
16
Molecular Weight:
124.226 g/mol
Cas Number:
-
EINECS Number:
-
2-acetonyl-2-methyl-cyclopentan-1-one
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl succinate
Molecular Formula:
C
6
H
10
O
4
Molecular Weight:
146.143 g/mol
Cas Number:
106-65-0
EINECS Number:
203-419-9
decalin-2-one
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
4832-17-1
EINECS Number:
225-411-4
3-methylidene-2-prop-2-enylhexanoic acid
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-hydroxycycloheptyl)benzo-1,4-quinone
Molecular Formula:
C
13
H
16
O
3
Molecular Weight:
220.268 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-(tert-butylsulfanyl)-3,7-dimethyl-2,6-octadiene
Molecular Formula:
C
14
H
26
S
Molecular Weight:
226.426 g/mol
Cas Number:
-
EINECS Number:
-
2-methylene-1,3-diphenyl-1,3-propanedione
Molecular Formula:
C
16
H
12
O
2
Molecular Weight:
236.27 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-N,N,3,3-tetramethyl-1-buten-1-amine
Molecular Formula:
C
8
H
17
N
Molecular Weight:
127.23 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7-tetramethyl-1,3-dihydro-2H-inden-2-one
Molecular Formula:
C
13
H
16
O
Molecular Weight:
188.269 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7-tetramethyl-3H-benzofuran-2-one
Molecular Formula:
C
12
H
14
O
2
Molecular Weight:
190.242 g/mol
Cas Number:
-
EINECS Number:
-
methyl (3E)-3,5-hexadienoate
Molecular Formula:
C
7
H
10
O
2
Molecular Weight:
126.155 g/mol
Cas Number:
-
EINECS Number:
-
2-(dimethylaminomethyl)-cyclohexan-1-one
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
15409-60-6
EINECS Number:
-
(5E,7E)-5,7-tridecadiene
Molecular Formula:
C
13
H
24
Molecular Weight:
180.334 g/mol
Cas Number:
-
EINECS Number:
-
4,4-dimethyl-4,5-dihydroazulene
Molecular Formula:
C
12
H
14
Molecular Weight:
158.243 g/mol
Cas Number:
-
EINECS Number:
-
2-heptyl-2-cyclohexen-1-one
Molecular Formula:
C
13
H
22
O
Molecular Weight:
194.317 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-6H-dibenzo[de,g]quinoline
Molecular Formula:
C
17
H
13
N
Molecular Weight:
231.297 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
Molecular Formula:
C
19
H
21
NO
2
Molecular Weight:
295.381 g/mol
Cas Number:
-
EINECS Number:
-
1-phenethyl-pyrrolidine
Molecular Formula:
C
12
H
17
N
Molecular Weight:
175.274 g/mol
Cas Number:
6273-83-2
EINECS Number:
-
2-(carboxymethyl)-4,6-dihydroxybenzoic acid
Molecular Formula:
C
9
H
8
O
6
Molecular Weight:
212.159 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5-decen-2-one
Molecular Formula:
C
10
H
18
O
Molecular Weight:
154.252 g/mol
Cas Number:
-
EINECS Number:
-
4-octyl-2-oxetanone
Molecular Formula:
C
11
H
20
O
2
Molecular Weight:
184.279 g/mol
Cas Number:
-
EINECS Number:
-
1,1-dichloro-2-fluoro-2-(trifluoromethylperoxy)-ethane
Molecular Formula:
C
3
H
2
Cl
2
F
4
O
2
Molecular Weight:
216.947 g/mol
Cas Number:
54362-36-6
EINECS Number:
-
5-methoxy-2,4,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazole
Molecular Formula:
C
13
H
17
NO
2
Molecular Weight:
219.284 g/mol
Cas Number:
-
EINECS Number:
-
6-methylenehexahydro-1,5-indolizinedione
Molecular Formula:
C
9
H
11
NO
2
Molecular Weight:
165.192 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-(6-methylene-1,5-dioxooctahydro-7-indolizinyl)butanoate
Molecular Formula:
C
14
H
19
NO
4
Molecular Weight:
265.309 g/mol
Cas Number:
-
EINECS Number:
-
2-[2-(1,4-dioxaspiro[4.5]dec-6-yl)ethyl]-6-methylpyridine
Molecular Formula:
C
16
H
23
NO
2
Molecular Weight:
261.364 g/mol
Cas Number:
-
EINECS Number:
-
3-[2-(2-oxocyclohexyl)ethyl]-2-cyclohexen-1-one
Molecular Formula:
C
14
H
20
O
2
Molecular Weight:
220.312 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7,8,8a,9,10-octahydro-3H-phenanthren-2-one
Molecular Formula:
C
14
H
18
O
Molecular Weight:
202.296 g/mol
Cas Number:
-
EINECS Number:
-
6-butylspiro[4.5]decan-6-ol
Molecular Formula:
C
14
H
26
O
Molecular Weight:
210.36 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-undecanone
Molecular Formula:
C
12
H
24
O
Molecular Weight:
184.322 g/mol
Cas Number:
6315-95-3
EINECS Number:
-
1-chlorodecan-2-ylsulfanylbenzene
Molecular Formula:
C
16
H
25
ClS
Molecular Weight:
284.893 g/mol
Cas Number:
-
EINECS Number:
-
1-methylene-nonylsulfanyl-benzene
Molecular Formula:
C
16
H
24
S
Molecular Weight:
248.433 g/mol
Cas Number:
-
EINECS Number:
-
3,7-ditert-butyl-1,5-naphthalenedione
Molecular Formula:
C
18
H
22
O
2
Molecular Weight:
270.371 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-2-decanone
Molecular Formula:
C
11
H
22
O
Molecular Weight:
170.295 g/mol
Cas Number:
-
EINECS Number:
-
(diphenylsulfinimidoyl)benzene
Molecular Formula:
C
18
H
15
NS
Molecular Weight:
277.39 g/mol
Cas Number:
-
EINECS Number:
-
(N-methyl-S-phenylsulfinimidoyl)benzene
Molecular Formula:
C
13
H
13
NS
Molecular Weight:
215.319 g/mol
Cas Number:
-
EINECS Number:
-
2-oxo-2-phenyl-1-(phenylsulfanyl)ethyl acetate
Molecular Formula:
C
16
H
14
O
3
S
Molecular Weight:
286.351 g/mol
Cas Number:
-
EINECS Number:
-
2-oxo-1-phenyl-2-(phenylsulfanyl)ethyl acetate
Molecular Formula:
C
16
H
14
O
3
S
Molecular Weight:
286.351 g/mol
Cas Number:
-
EINECS Number:
-
acetic acid 1-(p-tolylsulfanylcarbonyl)-butyl ester
Molecular Formula:
C
14
H
18
O
3
S
Molecular Weight:
266.361 g/mol
Cas Number:
-
EINECS Number:
-
2,7-dimethyl-3,6-octanedione
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-1-pyrindan
Molecular Formula:
C
9
H
11
N
Molecular Weight:
133.193 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-bromo-4-methyl-2-pentene
Molecular Formula:
C
6
H
11
Br
Molecular Weight:
163.057 g/mol
Cas Number:
-
EINECS Number:
-
2-(dimethylamino-methylene)-propanedinitrile
Molecular Formula:
C
6
H
7
N
3
Molecular Weight:
121.142 g/mol
Cas Number:
16849-88-0
EINECS Number:
240-873-7
4-dimethylamino-cyclobutane-1,1,2-tricarbonitrile
Molecular Formula:
C
9
H
10
N
4
Molecular Weight:
174.205 g/mol
Cas Number:
-
EINECS Number:
-
7-methyl-1-nonyne
Molecular Formula:
C
10
H
18
Molecular Weight:
138.253 g/mol
Cas Number:
71566-65-9
EINECS Number:
-
7-allylidenenorcarane
Molecular Formula:
C
10
H
14
Molecular Weight:
134.221 g/mol
Cas Number:
-
EINECS Number:
-
alpha-Methylcinnamyl acetate
Molecular Formula:
C
12
H
14
O
2
Molecular Weight:
190.242 g/mol
Cas Number:
72797-29-6
EINECS Number:
-
(2-methylenecyclopropyl)benzene
Molecular Formula:
C
10
H
10
Molecular Weight:
130.189 g/mol
Cas Number:
29817-09-2
EINECS Number:
-
methyl pentanoate
Molecular Formula:
C
6
H
12
O
2
Molecular Weight:
116.16 g/mol
Cas Number:
624-24-8
EINECS Number:
210-838-0
methyl (2E)-6-(1-ethoxyethoxy)-3-ethyl-2-hexenoate
Molecular Formula:
C
13
H
24
O
4
Molecular Weight:
244.331 g/mol
Cas Number:
-
EINECS Number:
-
1-(1,2-dioxan-3-yl)ethanol
Molecular Formula:
C
6
H
12
O
3
Molecular Weight:
132.159 g/mol
Cas Number:
-
EINECS Number:
-
(3-methyl-1,2-dioxolan-3-yl)methanol
Molecular Formula:
C
5
H
10
O
3
Molecular Weight:
118.133 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-6-phenyl-1,3-oxazine-2,4-quinone
Molecular Formula:
C
11
H
9
NO
3
Molecular Weight:
203.197 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl-2-methylsulfanyl-2-phenylethanethioamide
Molecular Formula:
C
11
H
15
NS
2
Molecular Weight:
225.379 g/mol
Cas Number:
-
EINECS Number:
-
1-phenylethyl dimethyldithiocarbamate
Molecular Formula:
C
11
H
15
NS
2
Molecular Weight:
225.379 g/mol
Cas Number:
-
EINECS Number:
-
N,N-dimethyl-2-phenyl-2-sulfanylethanethioamide
Molecular Formula:
C
10
H
13
NS
2
Molecular Weight:
211.352 g/mol
Cas Number:
-
EINECS Number:
-
4-nitrobenzyl 4-oxopentanoate
Molecular Formula:
C
12
H
13
NO
5
Molecular Weight:
251.239 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclopenta-2,4-dienylidenemethyl-dimethyl-amine
Molecular Formula:
C
8
H
11
N
Molecular Weight:
121.182 g/mol
Cas Number:
696-68-4
EINECS Number:
-
ethyl 6-oxospiro[4.5]dec-1-ene-2-carboxylate
Molecular Formula:
C
13
H
18
O
3
Molecular Weight:
222.284 g/mol
Cas Number:
-
EINECS Number:
-
(1-acetyl-1,2,3,4-tetrahydro-1-naphthalenyl)acetaldehyde
Molecular Formula:
C
14
H
16
O
2
Molecular Weight:
216.28 g/mol
Cas Number:
-
EINECS Number:
-
7-hydroxyheptanal
Molecular Formula:
C
7
H
14
O
2
Molecular Weight:
130.187 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-(dimethylamino)-2-butenenitrile
Molecular Formula:
C
6
H
10
N
2
Molecular Weight:
110.159 g/mol
Cas Number:
-
EINECS Number:
-
1
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