| SpectraBase Spectrum ID |
FzEyQxKdhuZ |
| Name |
5,1-Benzothiazepine-2-one, 3-acetylamino- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.061948806 u |
| Formula |
C11H12N2O2S |
| InChI |
InChI=1S/C11H12N2O2S/c1-7(14)12-9-6-16-10-5-3-2-4-8(10)13-11(9)15/h2-5,9H,6H2,1H3,(H,12,14)(H,13,15) |
| InChIKey |
YYHVUHBAOWLTGM-UHFFFAOYSA-N |
| Molecular Weight |
236.289 g/mol |
| SMILES |
C12=C(C=CC=C2)NC(C(CS1)NC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970322 |
