| SpectraBase Spectrum ID |
36xVKul0Aj0 |
| Name |
N-(4-Methyl-3-nitrophenyl)-2-nitrobenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.069870461 u |
| Formula |
C14H11N3O5 |
| InChI |
InChI=1S/C14H11N3O5/c1-9-6-7-10(8-13(9)17(21)22)15-14(18)11-4-2-3-5-12(11)16(19)20/h2-8H,1H3,(H,15,18) |
| InChIKey |
STPYMLINQWSKQR-UHFFFAOYSA-N |
| Molecular Weight |
301.258 g/mol |
| SMILES |
CC1=CC=C(NC(=O)C2=CC=CC=C2N(=O)=O)C=C1N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95335 |
