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3-(4-Methylphenyl)-3-oxidanylidene-2-phenyl-propanenitrile

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

3-(4-Methylphenyl)-3-oxidanylidene-2-phenyl-propanenitrile
SpectraBase Compound ID DhYz3Qfps34
InChI InChI=1S/C16H13NO/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey JBAMNRZYBNATRZ-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JeaDhfwynwZ
Name 3-(4-Methylphenyl)-3-oxidanylidene-2-phenyl-propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.099714042 u
Formula C16H13NO
InChI InChI=1S/C16H13NO/c1-12-7-9-14(10-8-12)16(18)15(11-17)13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey JBAMNRZYBNATRZ-UHFFFAOYSA-N
Molecular Weight 235.286 g/mol
SMILES C(C(C1=CC=C(C=C1)C)=O)(C#N)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855435