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ChemSpider
Search and share chemistry
Simple
Structure
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History
Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID
Systematic names
1,2-dihydroxybenzene
Synonyms
AIBN
Trade names
Aspirin
Registry numbers
7732-18-5
SMILES
O=C(OCC)C
InChl
InChI=1/CH4/h1H4
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Filter only those having analytical data
Found 22 results
Search term:
PAYRUJLWNCNPSJ
(Found by InChIKey (skeleton match))
1
2
ID
Structure
Molecular Formula
Molecular Weight
# of Data Sources
# of References
# of PubMed
# of RSC
5889
zoom
C
6
H
7
N
93.1265
164
1425
7118
18897
109826
zoom
C
6
H
2
D
5
N
98.1573
41
40
0
132
9312206
zoom
C
6
H
7
15
N
94.1199
31
24
0
0
2015217
zoom
C
6
D
7
N
100.169607
30
29
0
69
9461429
zoom
13
C
6
H
7
N
99.0824
27
22
0
0
17341234
zoom
C
5
13
CH
7
N
94.1191
13
13
0
0
24532031
zoom
C
6
H
5
D
2
N
95.1388
10
8
0
23
4454641
zoom
C
6
H
4
D
3
N
96.144963
10
8
0
0
8436527
zoom
C
5
13
CH
7
N
94.1191
8
6
0
0
2944539
zoom
C
6
H
7
N
93.12648
8
25
179
745
396822
zoom
C
5
11
CH
7
N
92.1272
4
3
0
0
67154535
zoom
C
6
H
2
D
5
N
98.1573
3
3
0
0
9963805
zoom
C
6
H
6
DN
94.1326
2
1
0
0
9979357
zoom
14
C
6
H
7
N
105.0817
2
1
0
0
8924472
zoom
13
C
6
H
7
15
N
100.0758
2
1
0
0
9204941
zoom
C
5
14
CH
7
N
95.119
2
1
0
0
74070495
zoom
C
5
14
CH
7
N
95.119
1
1
0
0
74793197
zoom
C
4
13
C
2
H
4
D
3
N
98.1303
1
1
0
0
74793199
zoom
C
5
13
CH
3
D
4
N
98.1438
1
1
0
0
77411185
zoom
C
6
H
3
D
5
N
99.1647
1
1
0
0
1
2
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