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Benzonitrile, 4-(2-phenylpropyl)-

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

Benzonitrile, 4-(2-phenylpropyl)-
SpectraBase Compound ID HdbOfk4OQlM
InChI InChI=1S/C16H15N/c1-13(16-5-3-2-4-6-16)11-14-7-9-15(12-17)10-8-14/h2-10,13H,11H2,1H3
InChIKey MXIZSSHXYLSOBZ-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C16H15N
Exact Mass 221.120449 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LHBwuvRQ2PI
Name Benzonitrile, 4-(2-phenylpropyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.120449487 u
Formula C16H15N
InChI InChI=1S/C16H15N/c1-13(16-5-3-2-4-6-16)11-14-7-9-15(12-17)10-8-14/h2-10,13H,11H2,1H3
InChIKey MXIZSSHXYLSOBZ-UHFFFAOYSA-N
Molecular Weight 221.303 g/mol
SMILES C(#N)C=1C=CC(CC(C=2C=CC=CC2)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95501