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1-Benzyl-4-phenylisonipecotonitrile, hydrochloride

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

1-Benzyl-4-phenylisonipecotonitrile, hydrochloride
SpectraBase Compound ID 4pSNdNYcXrX
InChI InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H
InChIKey SPXFNRMZPRHYRH-UHFFFAOYSA-N
Mol Weight 312.84 g/mol
Molecular Formula C19H21ClN2
Exact Mass 312.139326 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1yNIofMCcJh
Name 1-Benzyl-4-phenylisonipecotonitrile, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.139326384 u
Formula C19H21ClN2
InChI InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H
InChIKey SPXFNRMZPRHYRH-UHFFFAOYSA-N
SMILES Cl.C=1C(=CC=CC1)C1(CCN(CC1)CC=1C=CC=CC1)C#N
Spectrum/Structure Validation Score (Raman) 0.993864