SpectraBase Spectrum ID |
CYrqegB5ZZ8 |
Name |
N-(N-Butyl)-1-phenylcyclohexylamine HC l inkbr |
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/c1-2-3-14-17-16(12-8-5-9-13-16)15-10-6-4-7-11-15;/h4,6-7,10-11,17H,2-3,5,8-9,12-14H2,1H3;1H |
InChIKey |
PXIUMEBIMQJYPZ-UHFFFAOYSA-N |
Molecular Weight |
267.844 g/mol |
SMILES |
N(C1(CCCCC1)C=1C=CC=CC1)CCCC.Cl |
Spectrum/Structure Validation Score (Raman) |
0.998487 |