SpectraBase Spectrum ID |
JgKxV64VAKa |
Name |
Benzenamine, N-methyl-4-nitro-2-(phenylsulfonyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.051778044 u |
Formula |
C13H12N2O4S |
InChI |
InChI=1S/C13H12N2O4S/c1-14-12-8-7-10(15(16)17)9-13(12)20(18,19)11-5-3-2-4-6-11/h2-9,14H,1H3 |
InChIKey |
IENSDCNDMZBGOF-UHFFFAOYSA-N |
SMILES |
CNC1=CC=C(C=C1S(=O)(=O)C1=CC=CC=C1)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961848 |