| SpectraBase Spectrum ID |
5ev97mnwJYj |
| Name |
Benzamide, 4-nitro-N-(4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.084792251 u |
| Formula |
C14H12N2O3 |
| InChI |
InChI=1S/C14H12N2O3/c1-10-2-6-12(7-3-10)15-14(17)11-4-8-13(9-5-11)16(18)19/h2-9H,1H3,(H,15,17) |
| InChIKey |
DGGPXDZCZMNNJB-UHFFFAOYSA-N |
| Molecular Weight |
256.261 g/mol |
| SMILES |
CC1=CC=C(NC(C2=CC=C(N(=O)=O)C=C2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922746 |
