| SpectraBase Spectrum ID |
B3AZGumpikF |
| Name |
2H-1,4-Benzothiazine-3,5,8(4H)-trione, 6,7-dimethyl-4-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.061614454 u |
| Formula |
C16H13NO3S |
| InChI |
InChI=1S/C16H13NO3S/c1-9-10(2)15(20)16-13(14(9)19)17(12(18)8-21-16)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3 |
| InChIKey |
UFZLXRFYINMLEA-UHFFFAOYSA-N |
| SMILES |
CC1=C(C)C(=O)C2=C(C1=O)SCC(N2C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953417 |
