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Oxirane-2-carbonitrile, 2,3,3-triphenyl-

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

Oxirane-2-carbonitrile, 2,3,3-triphenyl-
SpectraBase Compound ID ItxzGovzu2K
InChI InChI=1S/C21H15NO/c22-16-20(17-10-4-1-5-11-17)21(23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey JAJRCAWRXJTAKO-UHFFFAOYSA-N
Mol Weight 297.36 g/mol
Molecular Formula C21H15NO
Exact Mass 297.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GJIQffeQier
Name Oxirane-2-carbonitrile, 2,3,3-triphenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.115364106 u
Formula C21H15NO
InChI InChI=1S/C21H15NO/c22-16-20(17-10-4-1-5-11-17)21(23-20,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey JAJRCAWRXJTAKO-UHFFFAOYSA-N
SMILES C1(C(C2=CC=CC=C2)(C2=CC=CC=C2)O1)(C#N)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933519