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CAS Number: 38947-57-8
2,6-diphenylisonicotinic acid

Structure

2,6-diphenylisonicotinic acid
Name: 2,6-diphenylisonicotinic acid
Synonyms:
General Information
Product Number: 38947578

CAS Registry Number 38947-57-8
Name:
4-​Pyridinecarboxylic acid, 2,​6-​diphenyl-
Isonicotinic acid, 2,6-diphenyl- (6CI)
2,6-Diphenylisonicotinic acid
2,6-Diphenylpyridine-4-carboxylic acid

 

Chemical Formula: C18H13NO2
Exact Mass: 275.09
Molecular Weight: 275.30
m/z: 275.09 (100.0%), 276.10 (19.7%), 277.10 (2.3%)

 

InChI:InChI=1S/C18H13NO2/c20-18(21)15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,20,21)

InChI Key:PWKUURSWFJBXGO-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=CC=C3)C(=O)O

Specification

98%

References
  1. (1) Crispini, Alessandra; Acta Crystallographica, Section C: Crystal Structure Communications 2002, VC58(1), Po34-o35 CAPLUS
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