SpectraBase Spectrum ID |
2PDYJxekREK |
Name |
1-(alpha-Butylbenzyl)piperidine, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.175377541 u |
Formula |
C16H26ClN |
InChI |
InChI=1S/C16H25N.ClH/c1-2-3-12-16(15-10-6-4-7-11-15)17-13-8-5-9-14-17;/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3;1H |
InChIKey |
NGXWFPWXUXOVIH-UHFFFAOYSA-N |
Molecular Weight |
267.844 g/mol |
SMILES |
CCCCC(N1CCCCC1)C=1C=CC=CC1.Cl |
Spectrum/Structure Validation Score (Raman) |
0.99331 |