| SpectraBase Spectrum ID |
KiONvxmQ7wj |
| Name |
N-(2,2-Dichloroethenyl)-3-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.975547458 u |
| Formula |
C9H6Cl2N2O3 |
| InChI |
InChI=1S/C9H6Cl2N2O3/c10-8(11)5-12-9(14)6-2-1-3-7(4-6)13(15)16/h1-5H,(H,12,14) |
| InChIKey |
ZYJFGWLKZZZYCZ-UHFFFAOYSA-N |
| Molecular Weight |
261.064 g/mol |
| SMILES |
C(C=1C=C(C=CC1)N(=O)=O)(=O)NC=C(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88613 |
