SpectraBase Spectrum ID |
CxeE4tA2vG8 |
Name |
1-(2-Chlorobenzyl)-4-piperidinamine, N-(2-methylpropionyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.149891068 u |
Formula |
C16H23ClN2O |
InChI |
InChI=1S/C16H23ClN2O/c1-12(2)16(20)18-14-7-9-19(10-8-14)11-13-5-3-4-6-15(13)17/h3-6,12,14H,7-11H2,1-2H3,(H,18,20) |
InChIKey |
RMSAKBDHSGFFCS-UHFFFAOYSA-N |
SMILES |
C1(Cl)=C(C=CC=C1)CN1CCC(CC1)NC(C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915335 |