SpectraBase Spectrum ID |
EtywOiBDdJu |
Name |
Aminobenzene, N-[2-hydroxy-5-nitrobenzylidene]-2-methylthio- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.056863425 u |
Formula |
C14H12N2O3S |
InChI |
InChI=1S/C14H12N2O3S/c1-20-14-5-3-2-4-12(14)15-9-10-8-11(16(18)19)6-7-13(10)17/h2-9,17H,1H3/b15-9+ |
InChIKey |
CAOTVJMYXLFNCO-OQLLNIDSSA-N |
SMILES |
C1(=C(C=CC=C1)SC)\N=C\C1=C(C=CC(=C1)N(=O)=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949894 |