| SpectraBase Spectrum ID |
KZCjKc8UpfD |
| Name |
4-Keto-6,7-dimethoxy-3,1-benzothiazine-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.025563297 u |
| Formula |
C11H8N2O3S |
| InChI |
InChI=1S/C11H8N2O3S/c1-15-8-3-6-7(4-9(8)16-2)13-10(5-12)17-11(6)14/h3-4H,1-2H3 |
| InChIKey |
NGXNWMKCHUGQTQ-UHFFFAOYSA-N |
| Molecular Weight |
248.256 g/mol |
| SMILES |
C1(=NC=2C(C(S1)=O)=CC(=C(C2)OC)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977627 |
