| SpectraBase Spectrum ID |
JhLkqb9sHSa |
| Name |
2H-1,4-Benzothiazin-3(4H)-one, 7-ethoxy-6-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.036127980 u |
| Formula |
C10H10N2O4S |
| InChI |
InChI=1S/C10H10N2O4S/c1-2-16-8-4-9-6(3-7(8)12(14)15)11-10(13)5-17-9/h3-4H,2,5H2,1H3,(H,11,13) |
| InChIKey |
KQWCHJPKIQLHNG-UHFFFAOYSA-N |
| Molecular Weight |
254.260 g/mol |
| SMILES |
C1(=CC=2SCC(=O)NC2C=C1N(=O)=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908507 |
