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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 15
2-(dimethylaminomethyl)-1-phenylbutan-1-one
Molecular Formula:
C
13
H
19
NO
Molecular Weight:
205.3 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1-phenyl-1-butenyl diethylborinate
Molecular Formula:
C
14
H
21
BO
Molecular Weight:
216.131 g/mol
Cas Number:
-
EINECS Number:
-
2,3-ditert-butyl-1,2,3-thiadiaziridine 1,1-dioxide
Molecular Formula:
C
8
H
18
N
2
O
2
S
Molecular Weight:
206.309 g/mol
Cas Number:
-
EINECS Number:
-
Azo-tert-butane
Molecular Formula:
C
8
H
18
N
2
Molecular Weight:
142.244 g/mol
Cas Number:
927-83-3
EINECS Number:
-
4-hydroxy-4-phenyl-3-(phenylsulfanyl-methyl)-butan-2-one
Molecular Formula:
C
17
H
18
O
2
S
Molecular Weight:
286.395 g/mol
Cas Number:
-
EINECS Number:
-
1,2-bis(4-methylphenyl)-1,2-ethanedione
Molecular Formula:
C
16
H
14
O
2
Molecular Weight:
238.286 g/mol
Cas Number:
3457-48-5
EINECS Number:
222-388-2
cycloheptane
Molecular Formula:
C
7
H
14
Molecular Weight:
98.188 g/mol
Cas Number:
291-64-5
EINECS Number:
206-030-2
2,2-dibromospiro[3.5]nonan-1-one
Molecular Formula:
C
9
H
12
Br
2
O
Molecular Weight:
296 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-(2-oxoethyl)cyclohexanecarboxylate
Molecular Formula:
C
10
H
16
O
3
Molecular Weight:
184.235 g/mol
Cas Number:
-
EINECS Number:
-
methyl 1-methylcyclohexanecarboxylate
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2,1-benzisoxazole
Molecular Formula:
C
8
H
7
NO
Molecular Weight:
133.15 g/mol
Cas Number:
4127-53-1
EINECS Number:
-
dichloro-octylborane
Molecular Formula:
C
8
H
17
BCl
2
Molecular Weight:
194.939 g/mol
Cas Number:
-
EINECS Number:
-
4-tert-butyl-1,2-dimethyl-4-cyclopentene-1,2,3-triol
Molecular Formula:
C
11
H
20
O
3
Molecular Weight:
200.278 g/mol
Cas Number:
-
EINECS Number:
-
2-vinylsulfanyl-but-3-enyl-benzene
Molecular Formula:
C
12
H
14
S
Molecular Weight:
190.309 g/mol
Cas Number:
-
EINECS Number:
-
1-hydroxy-1-phenylacetone
Molecular Formula:
C
9
H
10
O
2
Molecular Weight:
150.177 g/mol
Cas Number:
90-63-1
EINECS Number:
-
2,7-bis(ethylsulfanyl)-1,7-octadiene
Molecular Formula:
C
12
H
22
S
2
Molecular Weight:
230.439 g/mol
Cas Number:
-
EINECS Number:
-
2,7-octanedione
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
1626-09-1
EINECS Number:
-
2-phenyl-1H-imidazole-4,5-dicarbonitrile
Molecular Formula:
C
11
H
6
N
4
Molecular Weight:
194.196 g/mol
Cas Number:
50847-06-8
EINECS Number:
-
(3E)-3-nonen-2-ol
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
-
EINECS Number:
-
bis(1,2-dimethylpropyl)[(1E)-1-octenyl]borane
Molecular Formula:
C
18
H
37
B
Molecular Weight:
264.303 g/mol
Cas Number:
-
EINECS Number:
-
bis(1,2-dimethylpropyl)[(2E)-2-octenyl]borane
Molecular Formula:
C
18
H
37
B
Molecular Weight:
264.303 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-octen-1-ol
Molecular Formula:
C
8
H
16
O
Molecular Weight:
128.214 g/mol
Cas Number:
18409-17-1
EINECS Number:
242-288-2
3-methylsulfanyl-1,3-dihydro-indol-2-one
Molecular Formula:
C
9
H
9
NOS
Molecular Weight:
179.243 g/mol
Cas Number:
40800-64-4
EINECS Number:
-
3-cyclohexyl-2,5-dimethyl-3-phenylcyclopentanone
Molecular Formula:
C
19
H
26
O
Molecular Weight:
270.415 g/mol
Cas Number:
-
EINECS Number:
-
3,3-dimethyl-1,4-cyclooctadiene
Molecular Formula:
C
10
H
16
Molecular Weight:
136.237 g/mol
Cas Number:
-
EINECS Number:
-
2-(chloromethylsulfanyl-methyl)-benzonitrile
Molecular Formula:
C
9
H
8
ClNS
Molecular Weight:
197.688 g/mol
Cas Number:
-
EINECS Number:
-
N-benzyl-N-methylphenylmethanamine
Molecular Formula:
C
15
H
17
N
Molecular Weight:
211.307 g/mol
Cas Number:
102-05-6
EINECS Number:
-
4-pyrrolidin-1-yl-butyl-amine
Molecular Formula:
C
8
H
18
N
2
Molecular Weight:
142.244 g/mol
Cas Number:
24715-90-0
EINECS Number:
-
2-phenyl-1,4,5,6-tetrahydropyrimidine
Molecular Formula:
C
10
H
12
N
2
Molecular Weight:
160.219 g/mol
Cas Number:
5417-73-2
EINECS Number:
-
N-hexyl-N-methylamine
Molecular Formula:
C
7
H
17
N
Molecular Weight:
115.219 g/mol
Cas Number:
35161-70-7
EINECS Number:
252-410-6
1-propylpyrrolidine
Molecular Formula:
C
7
H
15
N
Molecular Weight:
113.203 g/mol
Cas Number:
-
EINECS Number:
-
2,3-bis(diisopropylamino)-2-cyclopropen-1-one
Molecular Formula:
C
15
H
28
N
2
O
Molecular Weight:
252.4 g/mol
Cas Number:
-
EINECS Number:
-
2,3-bis(diisopropylamino)-2-cyclopropene-1-thione
Molecular Formula:
C
15
H
28
N
2
S
Molecular Weight:
268.467 g/mol
Cas Number:
-
EINECS Number:
-
tert-butyl (1-hydroxycyclohexyl)acetate
Molecular Formula:
C
12
H
22
O
3
Molecular Weight:
214.305 g/mol
Cas Number:
5292-13-7
EINECS Number:
-
1-(1-phenylsulfanyl-cyclopropyl)-cyclooctan-1-ol
Molecular Formula:
C
17
H
24
OS
Molecular Weight:
276.443 g/mol
Cas Number:
-
EINECS Number:
-
spiro[3.7]undecan-1-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
spiro[3.6]decan-1-one
Molecular Formula:
C
10
H
16
O
Molecular Weight:
152.236 g/mol
Cas Number:
-
EINECS Number:
-
3,3-dimethyl-but-1-ynyl-benzene
Molecular Formula:
C
12
H
14
Molecular Weight:
158.243 g/mol
Cas Number:
4250-82-2
EINECS Number:
-
3,5-cycloheptadien-1-one
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
1121-65-9
EINECS Number:
-
bromomethyl-benzene
Molecular Formula:
C
7
H
7
Br
Molecular Weight:
171.037 g/mol
Cas Number:
100-39-0
EINECS Number:
202-847-3
8-isobutoxyspiro[4.5]dec-7-en-6-one
Molecular Formula:
C
14
H
22
O
2
Molecular Weight:
222.327 g/mol
Cas Number:
-
EINECS Number:
-
4-phenyl-1,2-oxathietane 2-oxide
Molecular Formula:
C
8
H
8
O
2
S
Molecular Weight:
168.216 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-hydroxy-2-phenylethanesulfinate
Molecular Formula:
C
9
H
12
O
3
S
Molecular Weight:
200.258 g/mol
Cas Number:
-
EINECS Number:
-
2-benzyl-2-phenyloxirane
Molecular Formula:
C
15
H
14
O
Molecular Weight:
210.276 g/mol
Cas Number:
-
EINECS Number:
-
Thiobenzoic acid
Molecular Formula:
C
7
H
6
OS
Molecular Weight:
138.19 g/mol
Cas Number:
98-91-9
EINECS Number:
202-712-9
3,3-dimethoxy-1,2-diphenyl-1-propanone
Molecular Formula:
C
17
H
18
O
3
Molecular Weight:
270.328 g/mol
Cas Number:
-
EINECS Number:
-
2-allylcyclobutanone
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
-
EINECS Number:
-
5-methoxy-2,2,4,4-tetramethyl-3-methylenetetrahydrofuran
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
2,5,5-trimethyl-2-(4-nitrobenzyl)oxy-1,3-dioxolan-4-one
Molecular Formula:
C
13
H
15
NO
6
Molecular Weight:
281.265 g/mol
Cas Number:
-
EINECS Number:
-
4-nitrobenzyl 2-(acetyloxy)-2-methylpropanoate
Molecular Formula:
C
13
H
15
NO
6
Molecular Weight:
281.265 g/mol
Cas Number:
-
EINECS Number:
-
7-cyclohexyl-7-azabicyclo[4.1.0]heptane
Molecular Formula:
C
12
H
21
N
Molecular Weight:
179.305 g/mol
Cas Number:
-
EINECS Number:
-
1-methylcyclohexanamine
Molecular Formula:
C
7
H
15
N
Molecular Weight:
113.203 g/mol
Cas Number:
6526-78-9
EINECS Number:
-
2,4-diethyl-furan-3-one
Molecular Formula:
C
8
H
12
O
2
Molecular Weight:
140.182 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-4-ethyl-N,N-dimethyl-5-propylidene-1,3-dioxolan-2-amine
Molecular Formula:
C
10
H
19
NO
2
Molecular Weight:
185.266 g/mol
Cas Number:
-
EINECS Number:
-
3-propylcyclohexanone
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
-
EINECS Number:
-
(2E,6E,10Z)-7-ethyl-3,11-dimethyl-2,6,10-tridecatrien-1-ol
Molecular Formula:
C
17
H
30
O
Molecular Weight:
250.425 g/mol
Cas Number:
-
EINECS Number:
-
4-oxodecanal
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-pyridinamine
Molecular Formula:
C
6
H
8
N
2
Molecular Weight:
108.143 g/mol
Cas Number:
1603-40-3
EINECS Number:
216-501-4
2-amino-3,5-dihydro-4,6-pteridinedione
Molecular Formula:
C
6
H
5
N
5
O
2
Molecular Weight:
179.138 g/mol
Cas Number:
119-44-8
EINECS Number:
-
2-amino-4-oxo-3,4-dihydro-6-pteridinyl trifluoroacetate
Molecular Formula:
C
8
H
4
F
3
N
5
O
3
Molecular Weight:
275.147 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-1-phenyl-3-hexanone
Molecular Formula:
C
13
H
18
O
Molecular Weight:
190.285 g/mol
Cas Number:
78987-82-3
EINECS Number:
-
6-methoxy-3-phenyl-3H-isobenzothiophen-1-one
Molecular Formula:
C
15
H
12
O
2
S
Molecular Weight:
256.325 g/mol
Cas Number:
-
EINECS Number:
-
methylsulfinyl-methyldisulfanyl-methane
Molecular Formula:
C
3
H
8
OS
3
Molecular Weight:
156.294 g/mol
Cas Number:
-
EINECS Number:
-
2-dimethylphosphanylethyl-diphenylphosphane
Molecular Formula:
C
16
H
20
P
2
Molecular Weight:
274.282 g/mol
Cas Number:
-
EINECS Number:
-
10-methylbicyclo[5.3.1]undeca-7,9-diene
Molecular Formula:
C
12
H
18
Molecular Weight:
162.275 g/mol
Cas Number:
-
EINECS Number:
-
methyl (E)-phenylmethylidenecarbamate
Molecular Formula:
C
9
H
9
NO
2
Molecular Weight:
163.176 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-oxo-6-phenyl-3-cyclohexene-1,1-dicarbonitrile
Molecular Formula:
C
15
H
12
N
2
O
Molecular Weight:
236.273 g/mol
Cas Number:
-
EINECS Number:
-
4,5-diphenyl-3H-1,2-dithiole-3-thione
Molecular Formula:
C
15
H
10
S
3
Molecular Weight:
286.442 g/mol
Cas Number:
13232-76-3
EINECS Number:
-
(1E)-1-octenylboronic acid
Molecular Formula:
C
8
H
17
BO
2
Molecular Weight:
156.033 g/mol
Cas Number:
42599-16-6
EINECS Number:
-
ethyl (4E)-4-methyl-4-tridecenoate
Molecular Formula:
C
16
H
30
O
2
Molecular Weight:
254.413 g/mol
Cas Number:
-
EINECS Number:
-
benzo[b]benzo[3,4]cyclobuta[1,2-d]benzo[f]oxepine
Molecular Formula:
C
20
H
12
O
Molecular Weight:
268.315 g/mol
Cas Number:
-
EINECS Number:
-
2-cyclododecen-1-one
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-1,2-naphthalenedione
Molecular Formula:
C
11
H
8
O
2
Molecular Weight:
172.183 g/mol
Cas Number:
7477-57-8
EINECS Number:
-
4-hydroxy-4-phenyl-2,5-cyclohexadien-1-one
Molecular Formula:
C
12
H
10
O
2
Molecular Weight:
186.21 g/mol
Cas Number:
42860-77-5
EINECS Number:
-
2-benzylidene-1,3-dithiolane
Molecular Formula:
C
10
H
10
S
2
Molecular Weight:
194.321 g/mol
Cas Number:
-
EINECS Number:
-
S-benzyl phenylethanethioate
Molecular Formula:
C
15
H
14
OS
Molecular Weight:
242.342 g/mol
Cas Number:
-
EINECS Number:
-
undecane
Molecular Formula:
C
11
H
24
Molecular Weight:
156.312 g/mol
Cas Number:
1120-21-4
EINECS Number:
214-300-6
[3-methyl-3-(3-methyl-2-butenyl)-2-oxiranyl]methanol
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
[3-methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methanol
Molecular Formula:
C
10
H
18
O
2
Molecular Weight:
170.252 g/mol
Cas Number:
50727-94-1
EINECS Number:
-
[3-methyl-3-(4-methyl-3-pentenyl)-2-oxiranyl]methyl acetate
Molecular Formula:
C
12
H
20
O
3
Molecular Weight:
212.289 g/mol
Cas Number:
50727-95-2
EINECS Number:
-
(2E)-2-hepten-4-one
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
32397-56-1
EINECS Number:
-
2-amino-6-methyl-7,8-dihydro-3H-pteridin-4-one
Molecular Formula:
C
7
H
9
N
5
O
Molecular Weight:
179.182 g/mol
Cas Number:
-
EINECS Number:
-
6-Methylpurine
Molecular Formula:
C
7
H
7
N
5
O
Molecular Weight:
177.166 g/mol
Cas Number:
2004-03-7
EINECS Number:
217-903-2
n-Nonane
Molecular Formula:
C
9
H
20
Molecular Weight:
128.258 g/mol
Cas Number:
111-84-2
EINECS Number:
203-913-4
[(1Z)-2-bromo-1-butenyl]cyclohexane
Molecular Formula:
C
10
H
17
Br
Molecular Weight:
217.149 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-heptadecene
Molecular Formula:
C
18
H
36
Molecular Weight:
252.484 g/mol
Cas Number:
-
EINECS Number:
-
1-[(N-methyl-S-phenylsulfonimidoyl)methyl]cyclohex-2-en-1-ol
Molecular Formula:
C
14
H
19
NO
2
S
Molecular Weight:
265.376 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-2-(methylsulfanylmethyl)aniline
Molecular Formula:
C
9
H
13
NOS
Molecular Weight:
183.274 g/mol
Cas Number:
-
EINECS Number:
-
5-methoxy-2-methyl-3-methylsulfanyl-1H-indole
Molecular Formula:
C
11
H
13
NOS
Molecular Weight:
207.296 g/mol
Cas Number:
50461-37-5
EINECS Number:
-
5-methoxy-3-methylsulfanyl-1,3-dihydro-indol-2-one
Molecular Formula:
C
10
H
11
NO
2
S
Molecular Weight:
209.269 g/mol
Cas Number:
-
EINECS Number:
-
2,6-dimethyl-2-cyclohexen-1-one
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
40790-56-5
EINECS Number:
-
Isovalerone
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
108-83-8
EINECS Number:
203-620-1
dicyclohexylborane
Molecular Formula:
C
12
H
23
B
Molecular Weight:
178.126 g/mol
Cas Number:
-
EINECS Number:
-
methyl dicyclohexylborinate
Molecular Formula:
C
13
H
25
BO
Molecular Weight:
208.152 g/mol
Cas Number:
32705-46-7
EINECS Number:
-
Dicyclohexyl ketone
Molecular Formula:
C
13
H
22
O
Molecular Weight:
194.317 g/mol
Cas Number:
119-60-8
EINECS Number:
204-336-0
4-Hydroxycyclophosphamide
Molecular Formula:
C
7
H
15
Cl
2
N
2
O
3
P
Molecular Weight:
277.087 g/mol
Cas Number:
40277-05-2
EINECS Number:
-
3-tert-butylcyclohexanone
Molecular Formula:
C
10
H
18
O
Molecular Weight:
154.252 g/mol
Cas Number:
936-99-2
EINECS Number:
-
N-(bromomethyl)benzamide
Molecular Formula:
C
8
H
8
BrNO
Molecular Weight:
214.062 g/mol
Cas Number:
-
EINECS Number:
-
2-(6-methoxy-1,3,4,9-tetrahydro-4a(2H)-phenanthrenyl)ethanamine
Molecular Formula:
C
17
H
23
NO
Molecular Weight:
257.376 g/mol
Cas Number:
-
EINECS Number:
-
3,4,5,6-tetramethyl-2H-pyran-2-one
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
-
EINECS Number:
-
1
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18
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