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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 53
cyclohexanamine
Molecular Formula:
C
6
H
13
N
Molecular Weight:
99.176 g/mol
Cas Number:
108-91-8
EINECS Number:
203-629-0
(2E,5E)-2,5-bis(1,2,2-trimethylpropylidene)-3-cyclopenten-1-one
Molecular Formula:
C
17
H
26
O
Molecular Weight:
246.393 g/mol
Cas Number:
-
EINECS Number:
-
2-chloro-N-methyl-2-phenylacetamide
Molecular Formula:
C
9
H
10
ClNO
Molecular Weight:
183.637 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-N-methyl-2-phenylacetamide
Molecular Formula:
C
9
H
11
NO
2
Molecular Weight:
165.192 g/mol
Cas Number:
-
EINECS Number:
-
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-1-propanone
Molecular Formula:
C
11
H
18
N
2
O
2
Molecular Weight:
210.276 g/mol
Cas Number:
-
EINECS Number:
-
1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole
Molecular Formula:
C
6
H
6
F
3
NO
Molecular Weight:
165.115 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-3,6-dihydro-1H-pyridin-2-one
Molecular Formula:
C
12
H
13
NO
Molecular Weight:
187.241 g/mol
Cas Number:
-
EINECS Number:
-
1-(3,3-dimethylbutyl)-2-pyrrolidinone
Molecular Formula:
C
10
H
19
NO
Molecular Weight:
169.267 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-2-phenyl-5,6,7,8-tetrahydroindolizine
Molecular Formula:
C
15
H
17
N
Molecular Weight:
211.307 g/mol
Cas Number:
-
EINECS Number:
-
N-benzylhexan-2-amine
Molecular Formula:
C
13
H
21
N
Molecular Weight:
191.316 g/mol
Cas Number:
-
EINECS Number:
-
(2E,4E)-1-phenyl-2,4-heptadien-1-one
Molecular Formula:
C
13
H
14
O
Molecular Weight:
186.254 g/mol
Cas Number:
-
EINECS Number:
-
benzyl (2E,4E)-2,4-hexadienoate
Molecular Formula:
C
13
H
14
O
2
Molecular Weight:
202.253 g/mol
Cas Number:
-
EINECS Number:
-
allyl (2E,4E)-2,4-hexadienoate
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
7493-75-6
EINECS Number:
-
(2E,4E)-N-phenyl-2,4-hexadienamide
Molecular Formula:
C
12
H
13
NO
Molecular Weight:
187.241 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-6-(3-oxocyclohexyl)-5-hexenenitrile
Molecular Formula:
C
12
H
17
NO
Molecular Weight:
191.273 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-4-(3-oxocyclohexyl)-3-butenyl benzoate
Molecular Formula:
C
17
H
20
O
3
Molecular Weight:
272.344 g/mol
Cas Number:
-
EINECS Number:
-
3-[(1E)-4-chloro-1-butenyl]cyclohexanone
Molecular Formula:
C
10
H
15
ClO
Molecular Weight:
186.681 g/mol
Cas Number:
-
EINECS Number:
-
3-methylene-2,3-dihydro-4H-thiochromen-4-one
Molecular Formula:
C
10
H
8
OS
Molecular Weight:
176.239 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-methylidene-4-oxo-4-phenylbutanoate
Molecular Formula:
C
13
H
14
O
3
Molecular Weight:
218.252 g/mol
Cas Number:
-
EINECS Number:
-
2-methylol-1,4-naphthoquinone
Molecular Formula:
C
11
H
8
O
3
Molecular Weight:
188.183 g/mol
Cas Number:
55700-10-2
EINECS Number:
-
2-methyl-3-methylol-1,4-naphthoquinone
Molecular Formula:
C
12
H
10
O
3
Molecular Weight:
202.21 g/mol
Cas Number:
-
EINECS Number:
-
1,2,5,7a-tetrahydro-3H-pyrrolizin-3-one
Molecular Formula:
C
7
H
9
NO
Molecular Weight:
123.155 g/mol
Cas Number:
-
EINECS Number:
-
3,4,6,7,8,8a-hexahydro-indolizin-5-one
Molecular Formula:
C
8
H
11
NO
Molecular Weight:
137.181 g/mol
Cas Number:
-
EINECS Number:
-
3-methoxy-5-propyl-2-cyclopenten-1-one
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 4-methoxy-2-oxo-3-cyclopentene-1-carboxylate
Molecular Formula:
C
9
H
12
O
4
Molecular Weight:
184.192 g/mol
Cas Number:
-
EINECS Number:
-
N-(tert-butyl)-5-methoxynaphtho[1,2-b]furan-4-amine
Molecular Formula:
C
17
H
19
NO
2
Molecular Weight:
269.343 g/mol
Cas Number:
-
EINECS Number:
-
N-(tert-butyl)-5-methoxynaphtho[2,1-b]furan-4-amine
Molecular Formula:
C
17
H
19
NO
2
Molecular Weight:
269.343 g/mol
Cas Number:
-
EINECS Number:
-
1,4-dimethyl-5,6-diphenyl-1,2,3,4-tetrahydropyrazine
Molecular Formula:
C
18
H
20
N
2
Molecular Weight:
264.37 g/mol
Cas Number:
-
EINECS Number:
-
1-methylcyclohexanol
Molecular Formula:
C
7
H
14
O
Molecular Weight:
114.188 g/mol
Cas Number:
590-67-0
EINECS Number:
209-688-9
4-oxo-2-prop-2-enyldodecanenitrile
Molecular Formula:
C
15
H
25
NO
Molecular Weight:
235.37 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-[2-(4-methylphenyl)-2-oxoethyl]-4-pentenoate
Molecular Formula:
C
16
H
20
O
3
Molecular Weight:
260.333 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dimethyl-1,4,6,6a-tetrahydro-pentalen-2-one
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
-
EINECS Number:
-
2-benzyl-1-methyl-3-piperidinone
Molecular Formula:
C
13
H
17
NO
Molecular Weight:
203.284 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (1-methyl-3-oxo-2-piperidinyl)acetate
Molecular Formula:
C
10
H
17
NO
3
Molecular Weight:
199.25 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylethylphosphonic acid
Molecular Formula:
C
8
H
11
O
3
P
Molecular Weight:
186.147 g/mol
Cas Number:
4672-30-4
EINECS Number:
-
2-methyl-2-(trifluoromethyl)-1,3-cyclopentanedione
Molecular Formula:
C
7
H
7
F
3
O
2
Molecular Weight:
180.127 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 5-acetamido-2-methylpentanoate
Molecular Formula:
C
10
H
19
NO
3
Molecular Weight:
201.266 g/mol
Cas Number:
-
EINECS Number:
-
N-pentylacetamide
Molecular Formula:
C
7
H
15
NO
Molecular Weight:
129.202 g/mol
Cas Number:
2524-60-9
EINECS Number:
-
2-isopropyl-5-methylcyclohexyl benzoate
Molecular Formula:
C
17
H
24
O
2
Molecular Weight:
260.376 g/mol
Cas Number:
58641-29-5
EINECS Number:
-
(2E)-2,3-dimethyl-1-phenyl-2-octen-1-one
Molecular Formula:
C
16
H
22
O
Molecular Weight:
230.35 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-benzyl-4-phenyl-3-penten-2-one
Molecular Formula:
C
18
H
18
O
Molecular Weight:
250.34 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-1,5-diphenyl-4-hexen-3-one
Molecular Formula:
C
18
H
18
O
Molecular Weight:
250.34 g/mol
Cas Number:
-
EINECS Number:
-
2-cyclopentylidene-1,2-diphenylethanol
Molecular Formula:
C
19
H
20
O
Molecular Weight:
264.367 g/mol
Cas Number:
-
EINECS Number:
-
chlorocycloheptane
Molecular Formula:
C
7
H
13
Cl
Molecular Weight:
132.633 g/mol
Cas Number:
2453-46-5
EINECS Number:
-
2-methyl-3-(4-methyl-3-penten-1-ynyl)-1H-inden-1-one
Molecular Formula:
C
16
H
14
O
Molecular Weight:
222.287 g/mol
Cas Number:
-
EINECS Number:
-
3-ethynyl-1H-indene
Molecular Formula:
C
11
H
8
Molecular Weight:
140.185 g/mol
Cas Number:
-
EINECS Number:
-
3-(1-cyclopentenyl-methoxy)-propyl-benzene
Molecular Formula:
C
15
H
20
O
Molecular Weight:
216.323 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-7-hexyl-4,7-octadien-1-ol
Molecular Formula:
C
14
H
26
O
Molecular Weight:
210.36 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (7E)-5-methylene-7-tridecenoate
Molecular Formula:
C
16
H
28
O
2
Molecular Weight:
252.397 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-(1-vinylcyclohexyl)-2-butanol
Molecular Formula:
C
13
H
24
O
Molecular Weight:
196.333 g/mol
Cas Number:
-
EINECS Number:
-
6-methylenespiro[4.5]decane
Molecular Formula:
C
11
H
18
Molecular Weight:
150.264 g/mol
Cas Number:
-
EINECS Number:
-
(2-methylenecyclohexyl)methanol
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-5-phenylfuran
Molecular Formula:
C
11
H
10
O
Molecular Weight:
158.2 g/mol
Cas Number:
-
EINECS Number:
-
6-phenyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
Molecular Formula:
C
13
H
12
O
2
Molecular Weight:
200.237 g/mol
Cas Number:
-
EINECS Number:
-
2,6-diphenyl-2,3,3a,4-tetrahydrocyclopenta[c]pyrrol-5(1H)-one
Molecular Formula:
C
19
H
17
NO
Molecular Weight:
275.35 g/mol
Cas Number:
-
EINECS Number:
-
3-phenyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
Molecular Formula:
C
14
H
14
O
Molecular Weight:
198.265 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethyl-2-butanol
Molecular Formula:
C
6
H
14
O
Molecular Weight:
102.177 g/mol
Cas Number:
594-60-5
EINECS Number:
209-847-2
1-(5-butyl-3-isoxazolyl)-1-pentanone
Molecular Formula:
C
12
H
19
NO
2
Molecular Weight:
209.288 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-3-methyl-1,5-tridecadiene
Molecular Formula:
C
14
H
26
Molecular Weight:
194.36 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-but-3-enyl-benzene
Molecular Formula:
C
12
H
16
Molecular Weight:
160.259 g/mol
Cas Number:
-
EINECS Number:
-
4,8-dimethyl-4-vinyl-7-nonen-1-yne
Molecular Formula:
C
13
H
20
Molecular Weight:
176.302 g/mol
Cas Number:
-
EINECS Number:
-
methyl (5E)-2-methyl-5-octylidene-4-oxo-2-cyclopentene-1-carboxylate
Molecular Formula:
C
16
H
24
O
3
Molecular Weight:
264.365 g/mol
Cas Number:
-
EINECS Number:
-
1-methoxy-4-[1-(4-methoxyphenyl)-5-hexenyl]benzene
Molecular Formula:
C
20
H
24
O
2
Molecular Weight:
296.409 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-1-(4-methylphenyl)-2-buten-1-ol
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-4-(octylperoxy)-1-pentene
Molecular Formula:
C
14
H
28
O
2
Molecular Weight:
228.375 g/mol
Cas Number:
-
EINECS Number:
-
N,N,N',N'-tetramethyl-2,3-dimethylidenebutane-1,4-diamine
Molecular Formula:
C
10
H
20
N
2
Molecular Weight:
168.282 g/mol
Cas Number:
-
EINECS Number:
-
4-amino-2-methyl-2-butanol
Molecular Formula:
C
5
H
13
NO
Molecular Weight:
103.164 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-4-piperidinol
Molecular Formula:
C
6
H
13
NO
Molecular Weight:
115.175 g/mol
Cas Number:
3970-68-1
EINECS Number:
-
6-propyl-2,3,4,5-tetrahydropyridine
Molecular Formula:
C
8
H
15
N
Molecular Weight:
125.214 g/mol
Cas Number:
1604-01-9
EINECS Number:
-
6-phenylsulfanyl-hept-6-enoic acid methyl ester
Molecular Formula:
C
14
H
18
O
2
S
Molecular Weight:
250.362 g/mol
Cas Number:
-
EINECS Number:
-
5-phenylsulfanyl-hex-5-enenitrile
Molecular Formula:
C
12
H
13
NS
Molecular Weight:
203.308 g/mol
Cas Number:
-
EINECS Number:
-
1-methylene-oct-7-enylsulfanyl-benzene
Molecular Formula:
C
15
H
20
S
Molecular Weight:
232.39 g/mol
Cas Number:
-
EINECS Number:
-
5-chloropent-1-en-2-ylsulfanylbenzene
Molecular Formula:
C
11
H
13
ClS
Molecular Weight:
212.743 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-phenylsulfanyl-prop-2-enoxy)-tetrahydro-pyran
Molecular Formula:
C
14
H
18
O
2
S
Molecular Weight:
250.362 g/mol
Cas Number:
-
EINECS Number:
-
[(1Z)-2-(phenylsulfanyl)-1-hexenyl]benzene
Molecular Formula:
C
18
H
20
S
Molecular Weight:
268.423 g/mol
Cas Number:
-
EINECS Number:
-
[(1Z,3E)-1-butyl-octa-1,3-dienyl]sulfanyl-benzene
Molecular Formula:
C
18
H
26
S
Molecular Weight:
274.47 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-3-propan-2-ylidenefuran-2-one
Molecular Formula:
C
8
H
10
O
2
Molecular Weight:
138.166 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-5-phenyl-3-(1,2,2-trimethylpropylidene)-2(3H)-furanone
Molecular Formula:
C
16
H
18
O
2
Molecular Weight:
242.318 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2,3-dimethyl-4-pentenoate
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
S-ethyl 2,4-dimethyl-4-pentenethioate
Molecular Formula:
C
9
H
16
OS
Molecular Weight:
172.291 g/mol
Cas Number:
-
EINECS Number:
-
N-methoxy-N,2,4-trimethyl-4-pentenamide
Molecular Formula:
C
9
H
17
NO
2
Molecular Weight:
171.24 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-1-hexene
Molecular Formula:
C
8
H
16
Molecular Weight:
112.215 g/mol
Cas Number:
3404-58-8
EINECS Number:
-
3-methyl-1-hexene
Molecular Formula:
C
7
H
14
Molecular Weight:
98.188 g/mol
Cas Number:
3404-61-3
EINECS Number:
222-283-1
2-fluoro-4-(2-methoxyphenyl)-1-methylbenzene
Molecular Formula:
C
14
H
13
FO
Molecular Weight:
216.255 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-methoxy-1-naphthyl)thiophene
Molecular Formula:
C
15
H
12
OS
Molecular Weight:
240.326 g/mol
Cas Number:
-
EINECS Number:
-
N-(azidomethyl)-N-methyl-1-naphthalenamine
Molecular Formula:
C
12
H
12
N
4
Molecular Weight:
212.254 g/mol
Cas Number:
-
EINECS Number:
-
N-but-3-enyl-N-methylnaphthalen-1-amine
Molecular Formula:
C
15
H
17
N
Molecular Weight:
211.307 g/mol
Cas Number:
-
EINECS Number:
-
5-hydroxy-7-isopropoxy-2,3,6-trimethylnaphthoquinone
Molecular Formula:
C
16
H
18
O
4
Molecular Weight:
274.317 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-3-methyl-3-pentadecene
Molecular Formula:
C
16
H
32
Molecular Weight:
224.43 g/mol
Cas Number:
-
EINECS Number:
-
(5Z)-5,6-diphenyl-5-hexen-2-one
Molecular Formula:
C
18
H
18
O
Molecular Weight:
250.34 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-7-ethyl-7-hydroxy-5-dodecen-2-one
Molecular Formula:
C
14
H
26
O
2
Molecular Weight:
226.359 g/mol
Cas Number:
-
EINECS Number:
-
1-undecen-4-ol
Molecular Formula:
C
11
H
22
O
Molecular Weight:
170.295 g/mol
Cas Number:
-
EINECS Number:
-
1-allylcyclohexanol
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
1123-34-8
EINECS Number:
-
7-(1,3-benzodioxol-5-yl)-1-azabicyclo[3.2.2]non-6-ene
Molecular Formula:
C
15
H
17
NO
2
Molecular Weight:
243.306 g/mol
Cas Number:
-
EINECS Number:
-
4-phenyl-2-cyclopenten-1-one
Molecular Formula:
C
11
H
10
O
Molecular Weight:
158.2 g/mol
Cas Number:
-
EINECS Number:
-
4,4-dimethyl-2-cyclopenten-1-one
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
22748-16-9
EINECS Number:
-
2-methyl-5,6,7,7a-tetrahydro-1H-indene
Molecular Formula:
C
10
H
14
Molecular Weight:
134.221 g/mol
Cas Number:
-
EINECS Number:
-
4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
-
EINECS Number:
-
4-butyl-oct-3-en-1-ynyl-benzene
Molecular Formula:
C
18
H
24
Molecular Weight:
240.389 g/mol
Cas Number:
-
EINECS Number:
-
(E)-5-ethyl-1-pyrrolidin-1-ylnon-4-en-2-yn-1-one
Molecular Formula:
C
15
H
23
NO
Molecular Weight:
233.354 g/mol
Cas Number:
-
EINECS Number:
-
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