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2,4,6-Triphenyl-m-tolunitrile

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

2,4,6-Triphenyl-m-tolunitrile
SpectraBase Compound ID JScmJ2bl0Mr
InChI InChI=1S/C26H19N/c1-19-23(20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)25(18-27)26(19)22-15-9-4-10-16-22/h2-17H,1H3
InChIKey KIYYVRQXRSJTAD-UHFFFAOYSA-N
Mol Weight 345.45 g/mol
Molecular Formula C26H19N
Exact Mass 345.15175 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1Ll59GO5vZ
Name 2,4,6-Triphenyl-m-tolunitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.151749616 u
Formula C26H19N
InChI InChI=1S/C26H19N/c1-19-23(20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)25(18-27)26(19)22-15-9-4-10-16-22/h2-17H,1H3
InChIKey KIYYVRQXRSJTAD-UHFFFAOYSA-N
Molecular Weight 345.445 g/mol
SMILES C=1C(=C(C(=C(C1C=1C=CC=CC1)C)C=1C=CC=CC1)C#N)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.919522