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(E)-2,2,5-triphenyl-4-pentenenitrile

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(E)-2,2,5-triphenyl-4-pentenenitrile
SpectraBase Compound ID CEncC75VpzM
InChI InChI=1S/C23H19N/c24-19-23(21-14-6-2-7-15-21,22-16-8-3-9-17-22)18-10-13-20-11-4-1-5-12-20/h1-17H,18H2/b13-10+
InChIKey VAHIGWGHEKGWRV-JLHYYAGUSA-N
Mol Weight 309.41 g/mol
Molecular Formula C23H19N
Exact Mass 309.15175 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CBj0zkocg9v
Name (E)-2,2,5-Triphenyl-4-pentenenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.151749616 u
Formula C23H19N
InChI InChI=1S/C23H19N/c24-19-23(21-14-6-2-7-15-21,22-16-8-3-9-17-22)18-10-13-20-11-4-1-5-12-20/h1-17H,18H2/b13-10+
InChIKey VAHIGWGHEKGWRV-JLHYYAGUSA-N
Molecular Weight 309.412 g/mol
SMILES C(C#N)(C1=CC=CC=C1)(C=1C=CC=CC1)C\C=C\C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979767