For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benzenepentanenitrile, .alpha.-butyl-.delta.-oxo-

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

Benzenepentanenitrile, .alpha.-butyl-.delta.-oxo-
SpectraBase Compound ID HPr64dqVFuL
InChI InChI=1S/C15H19NO/c1-2-3-7-13(12-16)10-11-15(17)14-8-5-4-6-9-14/h4-6,8-9,13H,2-3,7,10-11H2,1H3
InChIKey OWDWDDQUIILKDS-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C15H19NO
Exact Mass 229.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FISjvTzBGtu
Name Benzenepentanenitrile, .alpha.-butyl-.delta.-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.146664235 u
Formula C15H19NO
InChI InChI=1S/C15H19NO/c1-2-3-7-13(12-16)10-11-15(17)14-8-5-4-6-9-14/h4-6,8-9,13H,2-3,7,10-11H2,1H3
InChIKey OWDWDDQUIILKDS-UHFFFAOYSA-N
Molecular Weight 229.323 g/mol
SMILES C(#N)C(CCC(=O)C=1C=CC=CC1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972248