SpectraBase Spectrum ID |
JuQguLrJHW2 |
Name |
4-Amino-3-chloro-N-[2-(diethylamino)ethyl]benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.129489975 u |
Formula |
C13H20ClN3O |
InChI |
InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18) |
InChIKey |
YEYAKZXEBSVURO-UHFFFAOYSA-N |
SMILES |
C(NCCN(CC)CC)(=O)C1=CC(Cl)=C(C=C1)N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951716 |