| SpectraBase Spectrum ID |
LWfhvxaSY0e |
| Name |
2-Benzamido-4-nitrotoluene |
| 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/c1-10-7-8-12(16(18)19)9-13(10)15-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17) |
| InChIKey |
AITINBWGCGZTNE-UHFFFAOYSA-N |
| Molecular Weight |
256.261 g/mol |
| SMILES |
C1(NC(C2=CC=CC=C2)=O)=CC(=CC=C1C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825024 |
