SpectraBase Spectrum ID |
3tCDjiW6hkx |
Name |
2-Chloro-N-[2-(4-chlorophenyl)ethyl]acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.021769377 u |
Formula |
C10H11Cl2NO |
InChI |
InChI=1S/C10H11Cl2NO/c11-7-10(14)13-6-5-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14) |
InChIKey |
RVQXTGCQLPYVQI-UHFFFAOYSA-N |
Molecular Weight |
232.110 g/mol |
SMILES |
C(Cl)C(=O)NCCC1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841838 |