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CAS Number: 58743-76-3
4'-propyl-[1,1'-biphenyl]-4-carbonitrile

Structure

4'-propyl-[1,1'-biphenyl]-4-carbonitrile
Name: 4'-propyl-[1,1'-biphenyl]-4-carbonitrile
Synonyms:
General Information
Product Number: 58743763

CAS Registry Number 58743-76-3
Name:
[1,?1'-?Biphenyl]?-?4-?carbonitrile, 4'-?propyl-
4'-Propyl[1,1'-biphenyl]-4-carbonitrile
3CB
4-Cyano-4'-propyl-1,1'-biphenyl
4-Cyano-4'-propylbiphenyl
4'-Propyl-4-cyanobiphenyl

 

Chemical Formula: C16H15N
Exact Mass: 221.12
Molecular Weight: 221.30
m/z: 221.12 (100.0%), 222.12 (17.7%), 223.13 (1.4%)

 

InChI:InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3

InChI Key:XFMPTZWVMVMELB-UHFFFAOYSA-N

Canonical SMILES:CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Specification

98%

References
  1. (10) Araya, K.; Molecular Crystals and Liquid Crystals 2003, V392, P49-57 CAPLUS
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