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1-Benzyl-4-hydroxyisonipecotonitrile hydrochloride

View entire compound with spectra: 3 NMR, 2 FTIR, and 2 Raman

1-Benzyl-4-hydroxyisonipecotonitrile hydrochloride
SpectraBase Compound ID 5LVXQonUsMF
InChI InChI=1S/C13H16N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-10H2;1H
InChIKey BFCODNKBFLYVOU-UHFFFAOYSA-N
Mol Weight 251.74 g/mol
Molecular Formula C13H16ClN2O
Exact Mass 251.095116 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2IU1NSUIdg8
Name 1-Benzyl-4-hydroxyisonipecotonitrile, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.102940874 u
Formula C13H17ClN2O
InChI InChI=1S/C13H16N2O.ClH/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;/h1-5,16H,6-10H2;1H
InChIKey BFCODNKBFLYVOU-UHFFFAOYSA-N
Molecular Weight 252.745 g/mol
SMILES OC1(CCN(CC1)CC1=CC=CC=C1)C#N.Cl
Spectrum/Structure Validation Score (Raman) 0.981621