| SpectraBase Spectrum ID |
7MNqGpOw2BT |
| Name |
2H-1,4-Benzothiazin-3(4H)-one, 4-methyl-2-(phenylmethylene)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.071785216 u |
| Formula |
C16H13NOS |
| InChI |
InChI=1S/C16H13NOS/c1-17-13-9-5-6-10-14(13)19-15(16(17)18)11-12-7-3-2-4-8-12/h2-11H,1H3/b15-11+ |
| InChIKey |
BUPJWEJVHXHTFA-RVDMUPIBSA-N |
| Molecular Weight |
267.346 g/mol |
| SMILES |
C1(\C(SC=2C(N1C)=CC=CC2)=C/C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869034 |
