| SpectraBase Spectrum ID |
42GzW81fsSd |
| Name |
N-(2,5-Dimethyl-phenyl)-3,5-dinitro-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.085520526 u |
| Formula |
C15H13N3O5 |
| InChI |
InChI=1S/C15H13N3O5/c1-9-3-4-10(2)14(5-9)16-15(19)11-6-12(17(20)21)8-13(7-11)18(22)23/h3-8H,1-2H3,(H,16,19) |
| InChIKey |
PJNWKWJELQOMOC-UHFFFAOYSA-N |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(NC1=CC(C)=CC=C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94063 |
