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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 6
2-phenylsulfanyl-cyclopentan-1-ol
Molecular Formula:
C
11
H
14
OS
Molecular Weight:
194.298 g/mol
Cas Number:
-
EINECS Number:
-
2,2,3-trimethyl-3-nitro-1-(4-nitrophenyl)-1-butanone
Molecular Formula:
C
13
H
16
N
2
O
5
Molecular Weight:
280.281 g/mol
Cas Number:
-
EINECS Number:
-
N-[chloro-[(E)-pent-1-enyl]boranyl]-N-methylaniline
Molecular Formula:
C
12
H
17
BClN
Molecular Weight:
221.537 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 1,2-dihydro-2,3-naphthalenedicarboxylate
Molecular Formula:
C
16
H
18
O
4
Molecular Weight:
274.317 g/mol
Cas Number:
-
EINECS Number:
-
(2Z,5E)-N,N-dimethyl-2,5-heptadien-1-amine
Molecular Formula:
C
9
H
17
N
Molecular Weight:
139.241 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dimethyl-3-(4-methyl-4-pentenyl)-2-cyclohexen-1-one
Molecular Formula:
C
14
H
22
O
Molecular Weight:
206.328 g/mol
Cas Number:
-
EINECS Number:
-
1,5-dimethyl-6,7-diazabicyclo[3.2.1]oct-6-ene
Molecular Formula:
C
8
H
14
N
2
Molecular Weight:
138.213 g/mol
Cas Number:
-
EINECS Number:
-
1,5-dimethyl-6,7-dioxabicyclo[3.2.1]octane
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
2,6-octanedione
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
38275-04-6
EINECS Number:
-
1-(2-methyltetrahydro-2-furanyl)acetone
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
Frontalin
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
28401-39-0
EINECS Number:
-
5-(2-methyl-2-oxiranyl)-2-pentanone
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
1,5-diazonan-2-one
Molecular Formula:
C
7
H
14
N
2
O
Molecular Weight:
142.201 g/mol
Cas Number:
-
EINECS Number:
-
2-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
4883-60-7
EINECS Number:
-
2-(1,5-dimethyl-4-hexenyl)-5-methylphenyl methyl ether
Molecular Formula:
C
16
H
24
O
Molecular Weight:
232.366 g/mol
Cas Number:
-
EINECS Number:
-
N-[4-(4-hydroxyphenoxy)phenyl]methanesulfonamide
Molecular Formula:
C
13
H
13
NO
4
S
Molecular Weight:
279.317 g/mol
Cas Number:
-
EINECS Number:
-
N-(4',6-dihydroxy[1,1'-biphenyl]-3-yl)methanesulfonamide
Molecular Formula:
C
13
H
13
NO
4
S
Molecular Weight:
279.317 g/mol
Cas Number:
-
EINECS Number:
-
N-(4-hydroxy-3-phenoxyphenyl)methanesulfonamide
Molecular Formula:
C
13
H
13
NO
4
S
Molecular Weight:
279.317 g/mol
Cas Number:
-
EINECS Number:
-
1-methylspiro[2.5]octane
Molecular Formula:
C
9
H
16
Molecular Weight:
124.226 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-methoxy-1-pyrrolidinecarboxylate
Molecular Formula:
C
7
H
13
NO
3
Molecular Weight:
159.185 g/mol
Cas Number:
56475-88-8
EINECS Number:
-
3-methyl-hexa-1,2-dienyl-benzene
Molecular Formula:
C
13
H
16
Molecular Weight:
172.27 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-4-methyl-3-hepten-2-one
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
22319-25-1
EINECS Number:
-
3,5-bis(4-methylphenyl)-1,4-diazabicyclo[3.2.0]hept-3-en-7-one
Molecular Formula:
C
19
H
18
N
2
O
Molecular Weight:
290.365 g/mol
Cas Number:
-
EINECS Number:
-
5-ethenyl-2,2-dimethylfuran-3-one
Molecular Formula:
C
8
H
10
O
2
Molecular Weight:
138.166 g/mol
Cas Number:
76777-53-2
EINECS Number:
-
2-cyclohexyl-2-methylpropanenitrile
Molecular Formula:
C
10
H
17
N
Molecular Weight:
151.252 g/mol
Cas Number:
41781-05-9
EINECS Number:
-
1-butyl-5-methylpyrimidine-2,4-dione
Molecular Formula:
C
9
H
14
N
2
O
2
Molecular Weight:
182.222 g/mol
Cas Number:
-
EINECS Number:
-
hexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzen-4(5H)-one
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
-
EINECS Number:
-
8a-methoxy-1,2,3,3a,4,6,7,8-octahydro-azulen-5-one
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-4-(4-oxo-1-cyclohexen-1-yl)pentanoic acid
Molecular Formula:
C
12
H
18
O
3
Molecular Weight:
210.273 g/mol
Cas Number:
-
EINECS Number:
-
13,13-dimethyl-1,4-dioxadispiro[4.2.5.2]pentadecan-10-one
Molecular Formula:
C
15
H
24
O
3
Molecular Weight:
252.354 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-1,5-heptadiene
Molecular Formula:
C
7
H
12
Molecular Weight:
96.172 g/mol
Cas Number:
1541-23-7
EINECS Number:
-
(1E)-3-methyl-1-phenyl-1,5-hexadien-3-ol
Molecular Formula:
C
13
H
16
O
Molecular Weight:
188.269 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-3-cyclohexen-1-one
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
5259-65-4
EINECS Number:
-
1,2,3,8,9,9a-hexahydro-4H-quinolizin-4-one
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
-
EINECS Number:
-
3,6-dimethyl-2-cyclohexen-1-one
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
-
EINECS Number:
-
2,3-dimethyl-2-cyclohexen-1-one
Molecular Formula:
C
8
H
12
O
Molecular Weight:
124.183 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-phenyl-2-cyclohexen-1-one
Molecular Formula:
C
13
H
14
O
Molecular Weight:
186.254 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2-vinyl-2-cyclohexen-1-one
Molecular Formula:
C
9
H
12
O
Molecular Weight:
136.194 g/mol
Cas Number:
20026-79-3
EINECS Number:
-
3-methyl-5-phenyl-2-cyclopenten-1-one
Molecular Formula:
C
12
H
12
O
Molecular Weight:
172.227 g/mol
Cas Number:
-
EINECS Number:
-
phenyl-(phenylsulfanyl-methyldiazenyl)-amine
Molecular Formula:
C
13
H
13
N
3
S
Molecular Weight:
243.332 g/mol
Cas Number:
-
EINECS Number:
-
1-amino-N-(phenylsulfanyl-methyl)-cyclohex-3-ene-1-carboxamide
Molecular Formula:
C
14
H
18
N
2
OS
Molecular Weight:
262.376 g/mol
Cas Number:
77422-82-3
EINECS Number:
-
5,5-dimethyl-3-(phenylsulfanylmethyl)triazol-4-one
Molecular Formula:
C
11
H
13
N
3
OS
Molecular Weight:
235.31 g/mol
Cas Number:
-
EINECS Number:
-
N-[(1E)-1,3-butadienyl]-2,2,2-trichloroacetamide
Molecular Formula:
C
6
H
6
Cl
3
NO
Molecular Weight:
214.478 g/mol
Cas Number:
59403-01-9
EINECS Number:
-
2,2,2-trichloro-N-[(1E)-1-vinyl-1-hexenyl]acetamide
Molecular Formula:
C
10
H
14
Cl
3
NO
Molecular Weight:
270.585 g/mol
Cas Number:
-
EINECS Number:
-
(4E)-5-methyl-1,4-undecadiene
Molecular Formula:
C
12
H
22
Molecular Weight:
166.307 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 5,6,6-trichloro-2,2-dimethyl-5-hexen-3-ynoate
Molecular Formula:
C
10
H
11
Cl
3
O
2
Molecular Weight:
269.554 g/mol
Cas Number:
-
EINECS Number:
-
[(1E)-1-methyl-2-phenyl-1-propenyl]benzene
Molecular Formula:
C
16
H
16
Molecular Weight:
208.303 g/mol
Cas Number:
782-06-9
EINECS Number:
-
2-methoxy-1,1-dimethyl-7a-phenylhexahydro-1H-pyrrolizine
Molecular Formula:
C
16
H
23
NO
Molecular Weight:
245.365 g/mol
Cas Number:
-
EINECS Number:
-
[1-(1,3-benzodioxol-5-yl)-2-cyclohexen-1-yl]acetic acid
Molecular Formula:
C
15
H
16
O
4
Molecular Weight:
260.29 g/mol
Cas Number:
-
EINECS Number:
-
2,2,6-trimethyl-2,3,3a,4-tetrahydro-1,5-pentalenedione
Molecular Formula:
C
11
H
14
O
2
Molecular Weight:
178.231 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-(methylsulfanyl)-1,5-diphenyl-2-pentene-1,5-dione
Molecular Formula:
C
18
H
16
O
2
S
Molecular Weight:
296.39 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-methoxyphenyl)-4-(methylsulfanyl)-5,6,7,8-tetrahydroquinoline
Molecular Formula:
C
17
H
19
NOS
Molecular Weight:
285.41 g/mol
Cas Number:
-
EINECS Number:
-
2,6-Di(pyridin-2-yl)pyridine
Molecular Formula:
C
15
H
11
N
3
Molecular Weight:
233.273 g/mol
Cas Number:
1148-79-4
EINECS Number:
214-559-5
3,3-bis(methylsulfanyl)-1-(2-pyridinyl)-2-propen-1-one
Molecular Formula:
C
10
H
11
NOS
2
Molecular Weight:
225.335 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-norbornyl)acetonitrile
Molecular Formula:
C
9
H
13
N
Molecular Weight:
135.209 g/mol
Cas Number:
27108-25-4
EINECS Number:
-
methyl (2E)-2-(1-hydroxy-2-propynyl)-2,13-tetradecadienoate
Molecular Formula:
C
18
H
28
O
3
Molecular Weight:
292.419 g/mol
Cas Number:
-
EINECS Number:
-
5-methylene-3-[(1E)-1-tetradecenyl]-2(5H)-furanone
Molecular Formula:
C
19
H
30
O
2
Molecular Weight:
290.446 g/mol
Cas Number:
-
EINECS Number:
-
2-tetradec-13-en-2-ynoxy-tetrahydro-pyran
Molecular Formula:
C
19
H
32
O
2
Molecular Weight:
292.462 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2Z)-2-(hydroxymethyl)-2,13-tetradecadienoate
Molecular Formula:
C
16
H
28
O
3
Molecular Weight:
268.397 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-(1-hydroxy-2-propynyl)-2,13-tetradecadienenitrile
Molecular Formula:
C
17
H
25
NO
Molecular Weight:
259.392 g/mol
Cas Number:
-
EINECS Number:
-
N-benzyl-N'-ethylbenzene-1,2-diamine
Molecular Formula:
C
15
H
18
N
2
Molecular Weight:
226.321 g/mol
Cas Number:
-
EINECS Number:
-
1,5,8,12-tetraazabicyclo[10.2.2]hexadecane
Molecular Formula:
C
12
H
26
N
4
Molecular Weight:
226.365 g/mol
Cas Number:
-
EINECS Number:
-
N'-heptylnaphthalene-1,8-diamine
Molecular Formula:
C
17
H
24
N
2
Molecular Weight:
256.391 g/mol
Cas Number:
-
EINECS Number:
-
(2-ethyl-5-methoxy-3,4-dihydro-1-naphthalenyl)methanol
Molecular Formula:
C
14
H
18
O
2
Molecular Weight:
218.296 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-(2-furan-3-ylprop-2-enyl)-2-hydroxypropanedioate
Molecular Formula:
C
14
H
18
O
6
Molecular Weight:
282.293 g/mol
Cas Number:
-
EINECS Number:
-
4-(5-methoxy-2,5-dihydro-2-furanyl)benzonitrile
Molecular Formula:
C
12
H
11
NO
2
Molecular Weight:
201.225 g/mol
Cas Number:
-
EINECS Number:
-
methyl 8-chloro-2-(dimethoxyacetyl)-4-octynoate
Molecular Formula:
C
13
H
19
ClO
5
Molecular Weight:
290.744 g/mol
Cas Number:
-
EINECS Number:
-
methyl (5Z)-9-hydroxy-8-(hydroxymethyl)-10,10-dimethoxy-5-decenoate
Molecular Formula:
C
14
H
26
O
6
Molecular Weight:
290.357 g/mol
Cas Number:
-
EINECS Number:
-
methyl (5Z,8E)-8-formyl-10,10-dimethoxy-5,8-decadienoate
Molecular Formula:
C
14
H
22
O
5
Molecular Weight:
270.326 g/mol
Cas Number:
-
EINECS Number:
-
methyl (5Z,8E)-8-(2,2-dimethoxyethylidene)-9-oxo-5-undecen-10-ynoate
Molecular Formula:
C
16
H
22
O
5
Molecular Weight:
294.348 g/mol
Cas Number:
-
EINECS Number:
-
(5Z)-6-methoxy-3,7-dimethyl-5-octenyl acetate
Molecular Formula:
C
13
H
24
O
3
Molecular Weight:
228.332 g/mol
Cas Number:
-
EINECS Number:
-
2,2,7,7-tetramethyl-3,6-octanedione
Molecular Formula:
C
12
H
22
O
2
Molecular Weight:
198.305 g/mol
Cas Number:
-
EINECS Number:
-
[1,2-dimethyl-6-(1,3-oxazol-5-ylmethyl)cyclohexyl]methanol
Molecular Formula:
C
13
H
21
NO
2
Molecular Weight:
223.315 g/mol
Cas Number:
-
EINECS Number:
-
1-[1,2-dimethyl-6-(1,3-oxazol-5-ylmethyl)cyclohexyl]-2-butyn-1-ol
Molecular Formula:
C
16
H
23
NO
2
Molecular Weight:
261.364 g/mol
Cas Number:
-
EINECS Number:
-
4-[(3E)-4,8-dimethyl-3,7-nonadienyl]-1-methoxy-2-methylbenzene
Molecular Formula:
C
19
H
28
O
Molecular Weight:
272.431 g/mol
Cas Number:
-
EINECS Number:
-
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
Molecular Formula:
C
12
H
15
NO
2
Molecular Weight:
205.257 g/mol
Cas Number:
4721-98-6
EINECS Number:
-
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarbonitrile
Molecular Formula:
C
13
H
16
N
2
O
2
Molecular Weight:
232.282 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxy-1,1-dimethyl-4-phenyl-2-butynyl acetate
Molecular Formula:
C
14
H
16
O
3
Molecular Weight:
232.279 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-5-phenyl-2,5-dihydro-3-furanyl acetate
Molecular Formula:
C
14
H
16
O
3
Molecular Weight:
232.279 g/mol
Cas Number:
-
EINECS Number:
-
1-oxaspiro[4.5]decan-3-one
Molecular Formula:
C
9
H
14
O
2
Molecular Weight:
154.209 g/mol
Cas Number:
20028-28-8
EINECS Number:
-
1,8-dioxacyclotetradecane-2,9-dione
Molecular Formula:
C
12
H
20
O
4
Molecular Weight:
228.288 g/mol
Cas Number:
-
EINECS Number:
-
oxacyclotetradecan-2-one
Molecular Formula:
C
13
H
24
O
2
Molecular Weight:
212.332 g/mol
Cas Number:
1725-04-8
EINECS Number:
-
(5E)-5-(bromomethylene)dihydro-2(3H)-furanone
Molecular Formula:
C
5
H
5
BrO
2
Molecular Weight:
176.997 g/mol
Cas Number:
-
EINECS Number:
-
2-(2,2-diphenylethyl)-5-methylfuran
Molecular Formula:
C
19
H
18
O
Molecular Weight:
262.351 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-(3-tert-butyl-5-oxo-2(5H)-furanylidene)ethanoic acid
Molecular Formula:
C
10
H
12
O
4
Molecular Weight:
196.203 g/mol
Cas Number:
-
EINECS Number:
-
4-tert-butyl-1H-azepine-2,7-dione
Molecular Formula:
C
10
H
13
NO
2
Molecular Weight:
179.219 g/mol
Cas Number:
-
EINECS Number:
-
3-ethyl-5,6-dihydro-4H-1,2-oxazine
Molecular Formula:
C
6
H
11
NO
Molecular Weight:
113.159 g/mol
Cas Number:
-
EINECS Number:
-
3,4-dimethyl-5,6-dihydro-4H-1,2-oxazine
Molecular Formula:
C
6
H
11
NO
Molecular Weight:
113.159 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (3E)-4-methoxy-4-phenyl-3-butenoate
Molecular Formula:
C
13
H
16
O
3
Molecular Weight:
220.268 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (3E)-4-methoxy-3,5-hexadienoate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-methoxy-2-cyclopentene-1-carboxylate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3,4-dihydro-2H-pyran-5-ylacetate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-[(2E)-4-hydroxy-1,1,4-trimethyl-2-pentenyl]malonate
Molecular Formula:
C
13
H
22
O
5
Molecular Weight:
258.315 g/mol
Cas Number:
-
EINECS Number:
-
1,5,9-triazacyclotridecan-4-one
Molecular Formula:
C
10
H
21
N
3
O
Molecular Weight:
199.296 g/mol
Cas Number:
-
EINECS Number:
-
1-chloro-2,2,3,3-tetramethyl-1-(trifluoromethyl)cyclopropane
Molecular Formula:
C
8
H
12
ClF
3
Molecular Weight:
200.631 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2,4-dimethyl-2-hexenoic acid
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
tert-Butyl vinylacetate
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
14036-55-6
EINECS Number:
-
4-(4-ethoxycarbonyl-phenyl)-benzoic acid ethyl ester
Molecular Formula:
C
18
H
18
O
4
Molecular Weight:
298.339 g/mol
Cas Number:
47230-38-6
EINECS Number:
-
dimethyl 2,3-dimethylenesuccinate
Molecular Formula:
C
8
H
10
O
4
Molecular Weight:
170.165 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl (2Z,4Z)-2,4-hexadienedioate
Molecular Formula:
C
8
H
10
O
4
Molecular Weight:
170.165 g/mol
Cas Number:
1119-43-3
EINECS Number:
-
1
2
3
4
5
6
7
8
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