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Benzeneacetonitrile, alpha-(1-methylethyl)-alpha-[3-benzeneacetonitrile, alpha-(1-methylethyl)-alpha-[3-[methyl(2-phenylethyl)amino]propyl]-, monohydrochloride

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

Benzeneacetonitrile, alpha-(1-methylethyl)-alpha-[3-benzeneacetonitrile, alpha-(1-methylethyl)-alpha-[3-[methyl(2-phenylethyl)amino]propyl]-, monohydrochloride
SpectraBase Compound ID YpocjFpRE3
InChI InChI=1S/C23H30N2.ClH/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21;/h4-9,11-14,20H,10,15-18H2,1-3H3;1H
InChIKey OBAQQQOVZUCKMH-UHFFFAOYSA-N
Mol Weight 370.97 g/mol
Molecular Formula C23H31ClN2
Exact Mass 370.217577 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DSAUIROsQri
Name Benzeneacetonitrile, alpha-(1-methylethyl)-alpha-[3-benzeneacetonitrile, alpha-(1-methylethyl)-alpha-[3-[methyl(2-phenylethyl)amino]propyl]-, monohydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.217576706 u
Formula C23H31ClN2
InChI InChI=1S/C23H30N2.ClH/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21;/h4-9,11-14,20H,10,15-18H2,1-3H3;1H
InChIKey OBAQQQOVZUCKMH-UHFFFAOYSA-N
Molecular Weight 370.968 g/mol
SMILES [NH+](CCCC(C1=CC=CC=C1)(C(C)C)C#N)(CCC1=CC=CC=C1)C.[Cl-]
Spectrum/Structure Validation Score (Raman) 0.994365