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2-(4-Methylbenzoyl)-2,2-diphenylacetonitril

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

2-(4-Methylbenzoyl)-2,2-diphenylacetonitril
SpectraBase Compound ID 2MNGeB0NCg3
InChI InChI=1S/C22H17NO/c1-17-12-14-18(15-13-17)21(24)22(16-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3
InChIKey RFOHQZMGRQSZEZ-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C22H17NO
Exact Mass 311.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GvBLqRE4Y9
Name 2-(4-Methylbenzoyl)-2,2-diphenylacetonitril
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.131014170 u
Formula C22H17NO
InChI InChI=1S/C22H17NO/c1-17-12-14-18(15-13-17)21(24)22(16-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3
InChIKey RFOHQZMGRQSZEZ-UHFFFAOYSA-N
SMILES C(#N)C(C(C1=CC=C(C=C1)C)=O)(C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859085