| SpectraBase Spectrum ID |
AixDwS7VaD3 |
| Name |
4-Chloro-N-(2-iodo-phenyl)-2-nitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.926814823 u |
| Formula |
C13H8ClIN2O3 |
| InChI |
InChI=1S/C13H8ClIN2O3/c14-8-5-6-9(12(7-8)17(19)20)13(18)16-11-4-2-1-3-10(11)15/h1-7H,(H,16,18) |
| InChIKey |
MDBOJNOSBIUHPB-UHFFFAOYSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
C1(=C(C=C(C=C1)Cl)N(=O)=O)C(NC=1C=CC=CC1I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82763 |
