SpectraBase Spectrum ID |
5IvNIQwhDEN |
Name |
N,N'-(4-Chloro-o-phenylene)bisacetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.050905300 u |
Formula |
C10H11ClN2O2 |
InChI |
InChI=1S/C10H11ClN2O2/c1-6(14)12-9-4-3-8(11)5-10(9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15) |
InChIKey |
VDFQABAPEFACAU-UHFFFAOYSA-N |
Molecular Weight |
226.663 g/mol |
SMILES |
C1(=C(C=CC(=C1)Cl)NC(C)=O)NC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852142 |