| SpectraBase Spectrum ID |
BAbgF3hOnuq |
| Name |
1,3(4H)-Benzothiazin-4-one, 2,3-dihydro-3-methyl-2-benzoylmethylene- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.066699835 u |
| Formula |
C17H13NO2S |
| InChI |
InChI=1S/C17H13NO2S/c1-18-16(11-14(19)12-7-3-2-4-8-12)21-15-10-6-5-9-13(15)17(18)20/h2-11H,1H3/b16-11- |
| InChIKey |
IINJVOAMMRNCTM-WJDWOHSUSA-N |
| Molecular Weight |
295.356 g/mol |
| SMILES |
C1(N(\C(SC=2C1=CC=CC2)=C\C(C1=CC=CC=C1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911585 |
