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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 4
(3E)-5-methoxy-3-octene
Molecular Formula:
C
9
H
18
O
Molecular Weight:
142.241 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dichloro-1-phenylethanol
Molecular Formula:
C
8
H
8
Cl
2
O
Molecular Weight:
191.056 g/mol
Cas Number:
-
EINECS Number:
-
3-(phenylsulfanyl-methyl)-cyclohex-2-en-1-one
Molecular Formula:
C
13
H
14
OS
Molecular Weight:
218.32 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-(phenylsulfanyl-methyl)-cyclohex-2-en-1-one
Molecular Formula:
C
14
H
16
OS
Molecular Weight:
232.346 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-2-methylazepane
Molecular Formula:
C
10
H
19
N
Molecular Weight:
153.268 g/mol
Cas Number:
-
EINECS Number:
-
2-methylsulfanyl-4,5,6,7-tetrahydro-3H-azepine
Molecular Formula:
C
7
H
13
NS
Molecular Weight:
143.253 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-hydroxy-3-butenoate
Molecular Formula:
C
5
H
8
O
3
Molecular Weight:
116.117 g/mol
Cas Number:
5837-73-0
EINECS Number:
-
(2E)-1-methyl-2,4-pentadienyl 1-pyrrolidinecarbodithioate
Molecular Formula:
C
11
H
17
NS
2
Molecular Weight:
227.395 g/mol
Cas Number:
-
EINECS Number:
-
(2E,4E)-2,4-hexadienyl 1-pyrrolidinecarbodithioate
Molecular Formula:
C
11
H
17
NS
2
Molecular Weight:
227.395 g/mol
Cas Number:
-
EINECS Number:
-
(2E,4E,6E,8E)-2,4,6,8-decatetraene
Molecular Formula:
C
10
H
14
Molecular Weight:
134.221 g/mol
Cas Number:
-
EINECS Number:
-
(2E,4E)-1-propyl-2,4-hexadienyl 1-pyrrolidinecarbodithioate
Molecular Formula:
C
14
H
23
NS
2
Molecular Weight:
269.475 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-1H-indole
Molecular Formula:
C
15
H
13
N
Molecular Weight:
207.275 g/mol
Cas Number:
3377-71-7
EINECS Number:
-
methyl 1-(1-cyclohexen-1-ylmethyl)-2-oxocyclopentanecarboxylate
Molecular Formula:
C
14
H
20
O
3
Molecular Weight:
236.311 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-2,7,9,13-cyclopentadecatetraen-1-one
Molecular Formula:
C
16
H
22
O
Molecular Weight:
230.35 g/mol
Cas Number:
-
EINECS Number:
-
7-[(1E)-1,3-butadienyl]-3-methyl-2-cyclohepten-1-one
Molecular Formula:
C
12
H
16
O
Molecular Weight:
176.258 g/mol
Cas Number:
-
EINECS Number:
-
7-(1,3-dithian-2-ylidene)hexahydro-3H-pyrrolizin-3-one
Molecular Formula:
C
11
H
15
NOS
2
Molecular Weight:
241.378 g/mol
Cas Number:
-
EINECS Number:
-
1,2-dibromo-1-(2-chloroethoxy)ethane
Molecular Formula:
C
4
H
7
Br
2
ClO
Molecular Weight:
266.36 g/mol
Cas Number:
-
EINECS Number:
-
3-(2-bromo-1-ethoxyethoxy)-1-cyclohexene
Molecular Formula:
C
10
H
17
BrO
2
Molecular Weight:
249.148 g/mol
Cas Number:
-
EINECS Number:
-
5-ethoxy-2-isopropyl-3-methyltetrahydrofuran
Molecular Formula:
C
10
H
20
O
2
Molecular Weight:
172.268 g/mol
Cas Number:
-
EINECS Number:
-
[(1Z)-1,3-diethoxy-1-propenyl]benzene
Molecular Formula:
C
13
H
18
O
2
Molecular Weight:
206.285 g/mol
Cas Number:
-
EINECS Number:
-
N-(1-ethylpropylidene)-2-methyl-2-propanamine
Molecular Formula:
C
9
H
19
N
Molecular Weight:
141.257 g/mol
Cas Number:
-
EINECS Number:
-
N-tert-butyl-3-methylbutan-2-imine
Molecular Formula:
C
9
H
19
N
Molecular Weight:
141.257 g/mol
Cas Number:
-
EINECS Number:
-
methyl (2E,4E)-2,4-octadecadienoate
Molecular Formula:
C
19
H
34
O
2
Molecular Weight:
294.478 g/mol
Cas Number:
28061-47-4
EINECS Number:
-
3-ethyl-4,4-difluoro-5-hexen-3-ol
Molecular Formula:
C
8
H
14
F
2
O
Molecular Weight:
164.195 g/mol
Cas Number:
-
EINECS Number:
-
3-methylspiro[4.5]dec-2-en-1-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
N-prop-2-enylpropan-1-imine
Molecular Formula:
C
6
H
11
N
Molecular Weight:
97.16 g/mol
Cas Number:
-
EINECS Number:
-
bis(3-amino-propyl)-amine
Molecular Formula:
C
6
H
17
N
3
Molecular Weight:
131.221 g/mol
Cas Number:
56-18-8
EINECS Number:
200-261-2
bis(2-amino-ethyl)-amine
Molecular Formula:
C
4
H
13
N
3
Molecular Weight:
103.167 g/mol
Cas Number:
111-40-0
EINECS Number:
203-865-4
N,N'-bis(3-aminopropyl)propane-1,3-diamine
Molecular Formula:
C
9
H
24
N
4
Molecular Weight:
188.317 g/mol
Cas Number:
4605-14-5
EINECS Number:
225-007-8
1,1-dibromo-3,3-diethoxypropane
Molecular Formula:
C
7
H
14
Br
2
O
2
Molecular Weight:
289.995 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-3-bromo-2-propenal
Molecular Formula:
C
3
H
3
BrO
Molecular Weight:
134.96 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2E,4E)-5-bromo-2-methyl-2,4-pentadienoate
Molecular Formula:
C
8
H
11
BrO
2
Molecular Weight:
219.078 g/mol
Cas Number:
-
EINECS Number:
-
(2E,4E)-5-bromo-2-methyl-2,4-pentadien-1-ol
Molecular Formula:
C
6
H
9
BrO
Molecular Weight:
177.041 g/mol
Cas Number:
-
EINECS Number:
-
(1E,3E)-1,5-dibromo-4-methyl-1,3-pentadiene
Molecular Formula:
C
6
H
8
Br
2
Molecular Weight:
239.938 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1-bromo-3,3-diethoxy-1-propene
Molecular Formula:
C
7
H
13
BrO
2
Molecular Weight:
209.083 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-phenylsulfanyl-1-cyclohex-3-enyl)-ethanone
Molecular Formula:
C
14
H
16
OS
Molecular Weight:
232.346 g/mol
Cas Number:
-
EINECS Number:
-
(3-methyl-1-cyclohexenyl)sulfanyl-benzene
Molecular Formula:
C
13
H
16
S
Molecular Weight:
204.336 g/mol
Cas Number:
-
EINECS Number:
-
7-methoxy-3-phenylsulfanyl-1,2-dihydro-naphthalene
Molecular Formula:
C
17
H
16
OS
Molecular Weight:
268.379 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclopentenylsulfanyl-benzene
Molecular Formula:
C
11
H
12
S
Molecular Weight:
176.282 g/mol
Cas Number:
-
EINECS Number:
-
1-(phenylsulfanyl)-1-cyclooctene
Molecular Formula:
C
14
H
18
S
Molecular Weight:
218.363 g/mol
Cas Number:
-
EINECS Number:
-
[(E)-1-ethyl-prop-1-enyl]sulfanyl-benzene
Molecular Formula:
C
11
H
14
S
Molecular Weight:
178.298 g/mol
Cas Number:
-
EINECS Number:
-
(2-phenylsulfanyl-1-cyclohex-2-enyl)-benzene
Molecular Formula:
C
18
H
18
S
Molecular Weight:
266.407 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-phenylsulfanyl-1-cyclohex-2-enyl)-ethynyl-benzene
Molecular Formula:
C
20
H
18
S
Molecular Weight:
290.429 g/mol
Cas Number:
-
EINECS Number:
-
5-(methoxymethoxy)-2-pentyn-1-ol
Molecular Formula:
C
7
H
12
O
3
Molecular Weight:
144.17 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-methyl-1,2-butadienyl)naphthalene
Molecular Formula:
C
15
H
14
Molecular Weight:
194.276 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
9-oxabicyclo[4.2.1]non-1-yl hydroperoxide
Molecular Formula:
C
8
H
14
O
3
Molecular Weight:
158.197 g/mol
Cas Number:
-
EINECS Number:
-
4-hydroxycyclooctanone
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
1,2-Epoxy-5,9-cyclododecadiene
Molecular Formula:
C
12
H
18
O
Molecular Weight:
178.274 g/mol
Cas Number:
943-93-1
EINECS Number:
-
methyl 1-[(2E)-4-butoxy-4-oxo-2-butenyl]-2-oxocyclopentanecarboxylate
Molecular Formula:
C
15
H
22
O
5
Molecular Weight:
282.337 g/mol
Cas Number:
-
EINECS Number:
-
1-bromo-1H-cyclobuta[de]naphthalene
Molecular Formula:
C
11
H
7
Br
Molecular Weight:
219.081 g/mol
Cas Number:
-
EINECS Number:
-
9-bromo-3H-benzo[e]indazole
Molecular Formula:
C
11
H
7
BrN
2
Molecular Weight:
247.094 g/mol
Cas Number:
-
EINECS Number:
-
3-fluoro-1-benzofuran
Molecular Formula:
C
8
H
5
FO
Molecular Weight:
136.126 g/mol
Cas Number:
-
EINECS Number:
-
3-chloro-1-benzofuran
Molecular Formula:
C
8
H
5
ClO
Molecular Weight:
152.58 g/mol
Cas Number:
-
EINECS Number:
-
3-(methyl-prop-2-enylamino)cyclopent-2-en-1-one
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
-
EINECS Number:
-
1-(bromomethylsulfonyl)-2-methylcyclohexene
Molecular Formula:
C
8
H
13
BrO
2
S
Molecular Weight:
253.16 g/mol
Cas Number:
-
EINECS Number:
-
1,2-dimethylenecyclohexane
Molecular Formula:
C
8
H
12
Molecular Weight:
108.183 g/mol
Cas Number:
2819-48-9
EINECS Number:
-
dibromo(2-phenylpropyl)borane
Molecular Formula:
C
9
H
11
BBr
2
Molecular Weight:
289.805 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-phenylpropyl)-1,3,2-dioxaborinane
Molecular Formula:
C
12
H
17
BO
2
Molecular Weight:
204.077 g/mol
Cas Number:
-
EINECS Number:
-
heptanal
Molecular Formula:
C
7
H
14
O
Molecular Weight:
114.188 g/mol
Cas Number:
111-71-7
EINECS Number:
203-898-4
(1Z)-1-(7-methyl-2-azepanylidene)-2-octanone
Molecular Formula:
C
15
H
27
NO
Molecular Weight:
237.386 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-3-(1-methylamino-ethylidene)-tetrahydro-pyran-2-one
Molecular Formula:
C
8
H
13
NO
2
Molecular Weight:
155.197 g/mol
Cas Number:
-
EINECS Number:
-
1-(7-methyl-2-azepanyl)-2-octanol
Molecular Formula:
C
15
H
31
NO
Molecular Weight:
241.417 g/mol
Cas Number:
-
EINECS Number:
-
(3Z)-3-(ethylamino)-3-undecen-5-one
Molecular Formula:
C
13
H
25
NO
Molecular Weight:
211.348 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-N-[(1E,3E)-4-(phenylsulfanyl)-1,3-butadienyl]propanamide
Molecular Formula:
C
15
H
19
NOS
Molecular Weight:
261.388 g/mol
Cas Number:
-
EINECS Number:
-
1-amino-3-phenyl-2-propanol
Molecular Formula:
C
9
H
13
NO
Molecular Weight:
151.208 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-methyl-1-cyclobuten-1-yl)ethanone
Molecular Formula:
C
7
H
10
O
Molecular Weight:
110.156 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-methyl-2-vinylcyclobutyl)ethanone
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-N,N-diisopropyl-3-cyclohexene-1-carboxamide
Molecular Formula:
C
16
H
27
NO
Molecular Weight:
249.397 g/mol
Cas Number:
-
EINECS Number:
-
N,N-diisopropyl-4-methyl-2-cyclohexene-1-carboxamide
Molecular Formula:
C
14
H
25
NO
Molecular Weight:
223.359 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-5-hydroxy-7,7-dimethoxy-2,6,6-trimethyl-2-heptenoic acid
Molecular Formula:
C
12
H
22
O
5
Molecular Weight:
246.304 g/mol
Cas Number:
-
EINECS Number:
-
methyl (1-methoxy-1-methylethoxy)acetate
Molecular Formula:
C
7
H
14
O
4
Molecular Weight:
162.186 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1-amino-3-penten-2-ol
Molecular Formula:
C
5
H
11
NO
Molecular Weight:
101.148 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-N-propyl-3-buten-1-amine
Molecular Formula:
C
8
H
17
NO
Molecular Weight:
143.229 g/mol
Cas Number:
-
EINECS Number:
-
1-[1-benzyl-5-(2-furyl)-3-pyrrolidinyl]ethanone
Molecular Formula:
C
17
H
19
NO
2
Molecular Weight:
269.343 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-propylaminobut-3-en-2-ol
Molecular Formula:
C
8
H
17
NO
Molecular Weight:
143.229 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-2-methyl-N-propyl-3-buten-1-amine
Molecular Formula:
C
9
H
19
NO
Molecular Weight:
157.256 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-propyl-3-pyrrolidinyl)ethanone
Molecular Formula:
C
9
H
17
NO
Molecular Weight:
155.24 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-methyl-5-pyridin-2-ylpyrrolidin-3-yl)ethanone
Molecular Formula:
C
12
H
16
N
2
O
Molecular Weight:
204.272 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-2-vinyl-1-oxa-4-azaspiro[4.5]decane
Molecular Formula:
C
11
H
19
NO
Molecular Weight:
181.278 g/mol
Cas Number:
-
EINECS Number:
-
1-(1-azaspiro[4.5]dec-3-yl)ethanone
Molecular Formula:
C
11
H
19
NO
Molecular Weight:
181.278 g/mol
Cas Number:
-
EINECS Number:
-
2-bromoheptanenitrile
Molecular Formula:
C
7
H
12
BrN
Molecular Weight:
190.083 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-bromoheptanoate
Molecular Formula:
C
9
H
17
BrO
2
Molecular Weight:
237.137 g/mol
Cas Number:
5333-88-0
EINECS Number:
226-249-7
ethyl 2-bromo-3-cyclohexylpropanoate
Molecular Formula:
C
11
H
19
BrO
2
Molecular Weight:
263.175 g/mol
Cas Number:
-
EINECS Number:
-
2-bromo-4,4-dimethylpentanenitrile
Molecular Formula:
C
7
H
12
BrN
Molecular Weight:
190.083 g/mol
Cas Number:
-
EINECS Number:
-
2,7-dibromoheptanenitrile
Molecular Formula:
C
7
H
11
Br
2
N
Molecular Weight:
268.979 g/mol
Cas Number:
-
EINECS Number:
-
2,7-dibromo-2-methylheptanenitrile
Molecular Formula:
C
8
H
13
Br
2
N
Molecular Weight:
283.006 g/mol
Cas Number:
-
EINECS Number:
-
2,5-dibromopentanenitrile
Molecular Formula:
C
5
H
7
Br
2
N
Molecular Weight:
240.925 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 5-bromo-5-cyanopentanoate
Molecular Formula:
C
8
H
12
BrNO
2
Molecular Weight:
234.093 g/mol
Cas Number:
-
EINECS Number:
-
1-tert-butyl-3-phenyl-2-azetidinone
Molecular Formula:
C
13
H
17
NO
Molecular Weight:
203.284 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trichloro-1-(2-chlorotetrahydro-2H-pyran-3-yl)ethanone
Molecular Formula:
C
7
H
8
Cl
4
O
2
Molecular Weight:
265.95 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trichloro-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
Molecular Formula:
C
7
H
7
Cl
3
O
2
Molecular Weight:
229.489 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3,4-dihydro-2H-pyran-5-carboxylate
Molecular Formula:
C
7
H
10
O
3
Molecular Weight:
142.155 g/mol
Cas Number:
-
EINECS Number:
-
2,2,2-trichloro-1-(2-methoxytetrahydro-2H-pyran-3-yl)ethanone
Molecular Formula:
C
8
H
11
Cl
3
O
3
Molecular Weight:
261.532 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-2-(5-ethoxydihydro-3(2H)-furanylidene)decanenitrile
Molecular Formula:
C
16
H
27
NO
2
Molecular Weight:
265.396 g/mol
Cas Number:
-
EINECS Number:
-
5-dimethylamino-pentan-2-one
Molecular Formula:
C
7
H
15
NO
Molecular Weight:
129.202 g/mol
Cas Number:
43018-61-7
EINECS Number:
-
1-phenyl-1,2,3,6-tetrahydropyridine
Molecular Formula:
C
11
H
13
N
Molecular Weight:
159.231 g/mol
Cas Number:
-
EINECS Number:
-
1-propyl-1,2,3,6-tetrahydropyridine
Molecular Formula:
C
8
H
15
N
Molecular Weight:
125.214 g/mol
Cas Number:
-
EINECS Number:
-
1,2,4,5,6,8a-hexahydro-indolizin-3-one
Molecular Formula:
C
8
H
11
NO
Molecular Weight:
137.181 g/mol
Cas Number:
-
EINECS Number:
-
1-azabicyclo[3.3.1]nonan-2-one
Molecular Formula:
C
8
H
13
NO
Molecular Weight:
139.197 g/mol
Cas Number:
74331-49-0
EINECS Number:
-
1
2
3
4
5
6
7
8
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