| SpectraBase Spectrum ID |
KO1gX2cooJb |
| Name |
N-(4-Acetylamino-phenyl)-4-chloro-3-nitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.051633574 u |
| Formula |
C15H12ClN3O4 |
| InChI |
InChI=1S/C15H12ClN3O4/c1-9(20)17-11-3-5-12(6-4-11)18-15(21)10-2-7-13(16)14(8-10)19(22)23/h2-8H,1H3,(H,17,20)(H,18,21) |
| InChIKey |
TUWKWNJZQUNACT-UHFFFAOYSA-N |
| Molecular Weight |
333.731 g/mol |
| SMILES |
CC(NC1=CC=C(NC(C=2C=C(N(=O)=O)C(=CC2)Cl)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973083 |
