SpectraBase Spectrum ID |
9QKTgJouZte |
Name |
2-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 |
254.118590939 u |
Formula |
C13H19ClN2O |
InChI |
InChI=1S/C13H19ClN2O/c1-3-16(4-2)10-9-15-13(17)11-7-5-6-8-12(11)14/h5-8H,3-4,9-10H2,1-2H3,(H,15,17) |
InChIKey |
GYHFCFBYGSFHJF-UHFFFAOYSA-N |
Molecular Weight |
254.761 g/mol |
SMILES |
C1(Cl)=C(C=CC=C1)C(=O)NCCN(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801219 |