SpectraBase Spectrum ID |
7xnuGDirgCD |
Name |
11H-Quinoxalino[2,3-B][1,4]benzothiazine, 3-nitro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.036796686 u |
Formula |
C14H8N4O2S |
InChI |
InChI=1S/C14H8N4O2S/c19-18(20)8-5-6-11-12(7-8)21-14-13(16-11)15-9-3-1-2-4-10(9)17-14/h1-7H,(H,15,16) |
InChIKey |
OMVFXNLOFYMRFN-UHFFFAOYSA-N |
Molecular Weight |
296.304 g/mol |
SMILES |
C=12C(=NC3=C(N2)C=CC=C3)SC=2C(N1)=CC=C(N(=O)=O)C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915347 |