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Benzenepentanenitrilebutyl cyanide, 4-phenyl-

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 2 MS (GC)

Benzenepentanenitrilebutyl cyanide, 4-phenyl-
SpectraBase Compound ID FNwbAeQoSeS
InChI InChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2
InChIKey KCCRGNPICGXCCY-UHFFFAOYSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRiwFhCQLDW
Name 5-Phenylpentanenitrile
CAS Registry Number 7726-45-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N
InChI InChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2
InChIKey KCCRGNPICGXCCY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2015972
Molecular Weight 159.232 g/mol
SMILES c1cc(CCCCC#N)ccc1
SPLASH splash10-0006-9000000000-165402e92d7f6931d6f8
Source of Spectrum A1-13-4084/SMS8-7b
Synonyms 5-Phenylvaleronitrile
Wiley ID 1753605