SpectraBase Spectrum ID |
KmaADJZQBsA |
Name |
α-Benzyl-N-methylphenethylamine hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.128427348 u |
Formula |
C16H20ClN |
InChI |
InChI=1S/C16H19N.ClH/c1-17-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;/h2-11,16-17H,12-13H2,1H3;1H |
InChIKey |
XPMHHDLALIVTDF-UHFFFAOYSA-N |
Molecular Weight |
261.796 g/mol |
SMILES |
Cl.N(C(CC1=CC=CC=C1)CC=1C=CC=CC1)C |
Spectrum/Structure Validation Score (Raman) |
0.97895 |