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Cas Number
EINECS Number
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Smiles
Journal Title
GO
Journal of the American Chemical Society - 6338 compounds - page 50
(5E)-4-ethyl-4-formyl-5-octenenitrile
Molecular Formula:
C
11
H
17
NO
Molecular Weight:
179.262 g/mol
Cas Number:
-
EINECS Number:
-
5,5-diethyltetrahydro-2H-pyran-2-one
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
1-phenyl-1-(phenylsulfonyl)acetone
Molecular Formula:
C
15
H
14
O
3
S
Molecular Weight:
274.34 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-4-phenyl-2-butanone
Molecular Formula:
C
10
H
11
ClO
Molecular Weight:
182.649 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-benzyl-2-chloro-3-oxobutanoate
Molecular Formula:
C
13
H
15
ClO
3
Molecular Weight:
254.713 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (3E)-4-methyl-3-tetradecenoate
Molecular Formula:
C
17
H
32
O
2
Molecular Weight:
268.44 g/mol
Cas Number:
-
EINECS Number:
-
5-decyl-5-methyloxolan-2-one
Molecular Formula:
C
15
H
28
O
2
Molecular Weight:
240.386 g/mol
Cas Number:
-
EINECS Number:
-
(4-methoxyphenyl)[3-(4-methoxyphenyl)-2-oxiranyl]methanone
Molecular Formula:
C
17
H
16
O
4
Molecular Weight:
284.312 g/mol
Cas Number:
55097-58-0
EINECS Number:
-
3-methyl-1-indanone
Molecular Formula:
C
10
H
10
O
Molecular Weight:
146.189 g/mol
Cas Number:
6072-57-7
EINECS Number:
-
3,3-diphenylbutanoic acid
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
-
EINECS Number:
-
1-methylnaphthalene
Molecular Formula:
C
11
H
10
Molecular Weight:
142.2 g/mol
Cas Number:
90-12-0
EINECS Number:
201-966-8
6-(2-methoxyphenyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Molecular Formula:
C
16
H
20
O
3
Molecular Weight:
260.333 g/mol
Cas Number:
-
EINECS Number:
-
(4-methoxy-2,6-dimethylphenyl)(oxo)acetaldehyde
Molecular Formula:
C
11
H
12
O
3
Molecular Weight:
192.214 g/mol
Cas Number:
-
EINECS Number:
-
N-naphthalen-1-ylacetamide
Molecular Formula:
C
12
H
11
NO
Molecular Weight:
185.225 g/mol
Cas Number:
575-36-0
EINECS Number:
209-380-4
1-methyl-2-propenyl 3-oxobutanoate
Molecular Formula:
C
8
H
12
O
3
Molecular Weight:
156.181 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate
Molecular Formula:
C
13
H
16
O
3
Molecular Weight:
220.268 g/mol
Cas Number:
25491-42-3
EINECS Number:
-
2-(chloromethyl)-1,3,5-triisopropylbenzene
Molecular Formula:
C
16
H
25
Cl
Molecular Weight:
252.827 g/mol
Cas Number:
38580-86-8
EINECS Number:
-
2,4,6-trimethylbenzonitrile
Molecular Formula:
C
10
H
11
N
Molecular Weight:
145.204 g/mol
Cas Number:
2571-52-0
EINECS Number:
-
2,4,6-triethylbenzonitrile
Molecular Formula:
C
13
H
17
N
Molecular Weight:
187.285 g/mol
Cas Number:
-
EINECS Number:
-
2,4,6-triethylbenzaldehyde
Molecular Formula:
C
13
H
18
O
Molecular Weight:
190.285 g/mol
Cas Number:
-
EINECS Number:
-
2,4,6-triisopropylbenzonitrile
Molecular Formula:
C
16
H
23
N
Molecular Weight:
229.365 g/mol
Cas Number:
-
EINECS Number:
-
2,4,6-triisopropylbenzaldehyde
Molecular Formula:
C
16
H
24
O
Molecular Weight:
232.366 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethyl-1-naphthonitrile
Molecular Formula:
C
13
H
11
N
Molecular Weight:
181.237 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethyl-1-naphthaldehyde
Molecular Formula:
C
13
H
12
O
Molecular Weight:
184.238 g/mol
Cas Number:
-
EINECS Number:
-
3-methylamino-1-phenylpropan-1-one
Molecular Formula:
C
10
H
13
NO
Molecular Weight:
163.219 g/mol
Cas Number:
-
EINECS Number:
-
4-(3-methoxyphenyl)butanoyl chloride
Molecular Formula:
C
11
H
13
ClO
2
Molecular Weight:
212.676 g/mol
Cas Number:
-
EINECS Number:
-
6-methoxytetralin-1-one
Molecular Formula:
C
11
H
12
O
2
Molecular Weight:
176.215 g/mol
Cas Number:
1078-19-9
EINECS Number:
214-078-0
5,7-diethoxy-3a,4-dihydro-2-benzofuran-1,3-dione
Molecular Formula:
C
12
H
14
O
5
Molecular Weight:
238.24 g/mol
Cas Number:
-
EINECS Number:
-
3,3-diphenylacryloyl chloride
Molecular Formula:
C
15
H
11
ClO
Molecular Weight:
242.704 g/mol
Cas Number:
-
EINECS Number:
-
3,3-diphenylacrylic acid
Molecular Formula:
C
15
H
12
O
2
Molecular Weight:
224.259 g/mol
Cas Number:
606-84-8
EINECS Number:
-
10-oxo-9,10-dihydro-9-anthracenyl acetate
Molecular Formula:
C
16
H
12
O
3
Molecular Weight:
252.269 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-10H-anthracen-9-one
Molecular Formula:
C
15
H
12
O
Molecular Weight:
208.26 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-1-(2,4,6-trihydroxyphenyl)ethanone
Molecular Formula:
C
8
H
7
ClO
4
Molecular Weight:
202.594 g/mol
Cas Number:
-
EINECS Number:
-
4,6-dihydroxy-benzofuran-3-one
Molecular Formula:
C
8
H
6
O
4
Molecular Weight:
166.133 g/mol
Cas Number:
3260-49-9
EINECS Number:
-
2-methyl-3-(4-methylphenyl)butanoyl chloride
Molecular Formula:
C
12
H
15
ClO
Molecular Weight:
210.703 g/mol
Cas Number:
-
EINECS Number:
-
1-diazo-3-methyl-4-(4-methylphenyl)-2-pentanone
Molecular Formula:
C
13
H
16
N
2
O
Molecular Weight:
216.283 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-4-(4-methylphenyl)pentanoic acid
Molecular Formula:
C
13
H
18
O
2
Molecular Weight:
206.285 g/mol
Cas Number:
-
EINECS Number:
-
1-isopropyl-2,4,6,7-tetramethylnaphthalene
Molecular Formula:
C
17
H
22
Molecular Weight:
226.362 g/mol
Cas Number:
-
EINECS Number:
-
4,6,7-trimethyltetralin-1-one
Molecular Formula:
C
13
H
16
O
Molecular Weight:
188.269 g/mol
Cas Number:
-
EINECS Number:
-
2-thiophen-2-yl-ethanol
Molecular Formula:
C
6
H
8
OS
Molecular Weight:
128.195 g/mol
Cas Number:
5402-55-1
EINECS Number:
226-452-0
4-(acetyloxy)-2-(chloromethyl)-3,5,6-trimethylphenyl acetate
Molecular Formula:
C
14
H
17
ClO
4
Molecular Weight:
284.739 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethylbenzo-1,4-quinone
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
526-86-3
EINECS Number:
-
1,4-dimethoxy-2,3-dimethylbenzene
Molecular Formula:
C
10
H
14
O
2
Molecular Weight:
166.22 g/mol
Cas Number:
39021-83-5
EINECS Number:
-
1-methyl-2-phenylbutylamine
Molecular Formula:
C
11
H
17
N
Molecular Weight:
163.263 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-3-phenyl-2-butanone
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
3-phenyl-2-pentanone
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
1528-39-8
EINECS Number:
-
3,5-diphenyl-tetrahydro-furan-2-one
Molecular Formula:
C
16
H
14
O
2
Molecular Weight:
238.286 g/mol
Cas Number:
-
EINECS Number:
-
2,4-diphenylbutanoic acid
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
-
EINECS Number:
-
1,2-diphenylnaphthalene
Molecular Formula:
C
22
H
16
Molecular Weight:
280.369 g/mol
Cas Number:
-
EINECS Number:
-
5-chloro-2-pyrimidinamine
Molecular Formula:
C
4
H
4
ClN
3
Molecular Weight:
129.549 g/mol
Cas Number:
5428-89-7
EINECS Number:
226-581-2
ethyl 2-cyano-2-phenylacetate
Molecular Formula:
C
11
H
11
NO
2
Molecular Weight:
189.214 g/mol
Cas Number:
4553-07-5
EINECS Number:
224-921-4
ethyl 2-cyanobutanoate
Molecular Formula:
C
7
H
11
NO
2
Molecular Weight:
141.17 g/mol
Cas Number:
1619-58-5
EINECS Number:
-
ethyl cyano(4-methylphenyl)acetate
Molecular Formula:
C
12
H
13
NO
2
Molecular Weight:
203.241 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2,2-diethylmalonate
Molecular Formula:
C
11
H
20
O
4
Molecular Weight:
216.277 g/mol
Cas Number:
77-25-8
EINECS Number:
201-016-2
ethyl 2-acetylhexanoate
Molecular Formula:
C
10
H
18
O
3
Molecular Weight:
186.251 g/mol
Cas Number:
1540-29-0
EINECS Number:
216-271-5
ethyl 2-acetyloctanoate
Molecular Formula:
C
12
H
22
O
3
Molecular Weight:
214.305 g/mol
Cas Number:
29214-60-6
EINECS Number:
249-518-0
ethyl 2-acetyl-2-butylhexanoate
Molecular Formula:
C
14
H
26
O
3
Molecular Weight:
242.359 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-sec-butyl-2-ethylmalonate
Molecular Formula:
C
13
H
24
O
4
Molecular Weight:
244.331 g/mol
Cas Number:
76-71-1
EINECS Number:
200-980-1
diethyl 2-allyl-2-sec-butylmalonate
Molecular Formula:
C
14
H
24
O
4
Molecular Weight:
256.342 g/mol
Cas Number:
-
EINECS Number:
-
propyl 2-cyano-2-ethyl-4-methylpentanoate
Molecular Formula:
C
12
H
21
NO
2
Molecular Weight:
211.304 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-cyano-2-(4-methylphenyl)butanoate
Molecular Formula:
C
14
H
17
NO
2
Molecular Weight:
231.295 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-N-isoquinolin-1-ylbenzenesulfonamide
Molecular Formula:
C
15
H
13
N
3
O
2
S
Molecular Weight:
299.353 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-N-isoquinolin-4-ylbenzenesulfonamide
Molecular Formula:
C
15
H
13
N
3
O
2
S
Molecular Weight:
299.353 g/mol
Cas Number:
-
EINECS Number:
-
4-isoquinolinamine
Molecular Formula:
C
9
H
8
N
2
Molecular Weight:
144.176 g/mol
Cas Number:
23687-25-4
EINECS Number:
245-823-8
N-(4-oxazol-2-yl-phenyl)-benzamide
Molecular Formula:
C
16
H
12
N
2
O
2
Molecular Weight:
264.284 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2,4-dichloro-5-pyrimidinecarboxylate
Molecular Formula:
C
7
H
6
Cl
2
N
2
O
2
Molecular Weight:
221.042 g/mol
Cas Number:
51940-64-8
EINECS Number:
-
1-hydroxy-4-methoxy-2-naphthoic acid
Molecular Formula:
C
12
H
10
O
4
Molecular Weight:
218.209 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-naphthoyl)cyclohexanecarboxylic acid
Molecular Formula:
C
18
H
18
O
3
Molecular Weight:
282.339 g/mol
Cas Number:
-
EINECS Number:
-
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Molecular Formula:
C
8
H
8
O
3
Molecular Weight:
152.15 g/mol
Cas Number:
935-79-5
EINECS Number:
213-308-7
2-(1-naphthoyl)benzoic acid
Molecular Formula:
C
18
H
12
O
3
Molecular Weight:
276.291 g/mol
Cas Number:
5018-87-1
EINECS Number:
-
2,3,4,4a,4b,5,12,12a-octahydrobenzo[e]aceanthrylen-6(1H)-one
Molecular Formula:
C
20
H
20
O
Molecular Weight:
276.378 g/mol
Cas Number:
-
EINECS Number:
-
1,2,3,4,4a,4b,5,6,12,12a-decahydrobenzo[e]aceanthrylen-6-ol
Molecular Formula:
C
20
H
22
O
Molecular Weight:
278.394 g/mol
Cas Number:
-
EINECS Number:
-
5,6-dihydrobenzo[e]aceanthrylene
Molecular Formula:
C
20
H
14
Molecular Weight:
254.331 g/mol
Cas Number:
-
EINECS Number:
-
2-nitro-3-decanol
Molecular Formula:
C
10
H
21
NO
3
Molecular Weight:
203.282 g/mol
Cas Number:
-
EINECS Number:
-
1-nitro-2-octanol
Molecular Formula:
C
8
H
17
NO
3
Molecular Weight:
175.228 g/mol
Cas Number:
2224-39-7
EINECS Number:
-
3-methyl-3-nitro-4-undecanol
Molecular Formula:
C
12
H
25
NO
3
Molecular Weight:
231.335 g/mol
Cas Number:
-
EINECS Number:
-
2-bromophenol
Molecular Formula:
C
6
H
5
BrO
Molecular Weight:
173.009 g/mol
Cas Number:
95-56-7
EINECS Number:
202-432-7
2-hydroxy-2-mesityl-acetonitrile
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-dihydro-2,3-furandione 3-oxime
Molecular Formula:
C
4
H
5
NO
3
Molecular Weight:
115.089 g/mol
Cas Number:
5400-68-0
EINECS Number:
-
nonylbenzene
Molecular Formula:
C
15
H
24
Molecular Weight:
204.356 g/mol
Cas Number:
1081-77-2
EINECS Number:
214-103-5
Undecylbenzene
Molecular Formula:
C
17
H
28
Molecular Weight:
232.409 g/mol
Cas Number:
6742-54-7
EINECS Number:
229-806-2
2-(2-phenylmethoxyphenyl)acetic acid
Molecular Formula:
C
15
H
14
O
3
Molecular Weight:
242.274 g/mol
Cas Number:
22047-88-7
EINECS Number:
-
2-nitrosophenol
Molecular Formula:
C
6
H
5
NO
2
Molecular Weight:
123.111 g/mol
Cas Number:
-
EINECS Number:
-
(4-methyl-1,3-thiazol-5-yl)acetonitrile
Molecular Formula:
C
6
H
6
N
2
S
Molecular Weight:
138.193 g/mol
Cas Number:
-
EINECS Number:
-
2-heptynamide
Molecular Formula:
C
7
H
11
NO
Molecular Weight:
125.17 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-4-methylquinoline
Molecular Formula:
C
10
H
8
ClN
Molecular Weight:
177.633 g/mol
Cas Number:
634-47-9
EINECS Number:
211-209-3
5-methyl-1,3-oxazolidine-2,4-dione
Molecular Formula:
C
4
H
5
NO
3
Molecular Weight:
115.089 g/mol
Cas Number:
27770-23-6
EINECS Number:
-
1-methyl-9-phenanthrenamine
Molecular Formula:
C
15
H
13
N
Molecular Weight:
207.275 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethylaniline
Molecular Formula:
C
8
H
11
N
Molecular Weight:
121.182 g/mol
Cas Number:
95-64-7
EINECS Number:
202-437-4
3-(2-hydroxyethyl)-7,9-dihydro-1H-purine-2,6,8(3H)-trione
Molecular Formula:
C
7
H
8
N
4
O
4
Molecular Weight:
212.165 g/mol
Cas Number:
-
EINECS Number:
-
3-imino-1-phenyl-1-butanone
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
4-[(4-aminophenyl)(phenyl)phosphino]phenylamine
Molecular Formula:
C
18
H
17
N
2
P
Molecular Weight:
292.32 g/mol
Cas Number:
-
EINECS Number:
-
1-methoxy-3,5-dimethyl-2-nitrobenzene
Molecular Formula:
C
9
H
11
NO
3
Molecular Weight:
181.191 g/mol
Cas Number:
-
EINECS Number:
-
tetrahydrothiophene 1,1-dioxide
Molecular Formula:
C
4
H
8
O
2
S
Molecular Weight:
120.172 g/mol
Cas Number:
126-33-0
EINECS Number:
204-783-1
4-methyl-N-(thiolan-1-ylidene)-benzenesulfonamide
Molecular Formula:
C
11
H
15
NO
2
S
2
Molecular Weight:
257.378 g/mol
Cas Number:
13553-70-3
EINECS Number:
-
5-nitro-8-quinolinesulfonic acid
Molecular Formula:
C
9
H
6
N
2
O
5
S
Molecular Weight:
254.223 g/mol
Cas Number:
-
EINECS Number:
-
4-heptyl-1,3-thiazol-2-amine
Molecular Formula:
C
10
H
18
N
2
S
Molecular Weight:
198.332 g/mol
Cas Number:
-
EINECS Number:
-
8-pentadecanone
Molecular Formula:
C
15
H
30
O
Molecular Weight:
226.403 g/mol
Cas Number:
818-23-5
EINECS Number:
212-450-7
5-tetradecanone
Molecular Formula:
C
14
H
28
O
Molecular Weight:
212.376 g/mol
Cas Number:
31857-89-3
EINECS Number:
-
1-bromo-3,5-diethylbenzene
Molecular Formula:
C
10
H
13
Br
Molecular Weight:
213.117 g/mol
Cas Number:
90267-03-1
EINECS Number:
-
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