| SpectraBase Spectrum ID |
cdMswGuEZE |
| Name |
1,2,3,11A-Tetrahydro-5H,11H-pyrrolo[2,1-C][1,4]benzothiazepine-5,11-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.051049770 u |
| Formula |
C12H11NO2S |
| InChI |
InChI=1S/C12H11NO2S/c14-11-8-4-1-2-6-10(8)16-12(15)9-5-3-7-13(9)11/h1-2,4,6,9H,3,5,7H2 |
| InChIKey |
SIYXJNJEPWRALG-UHFFFAOYSA-N |
| Molecular Weight |
233.285 g/mol |
| SMILES |
C1(N2C(C(=O)SC=3C1=CC=CC3)CCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966479 |
![1,2,3,11a-tetrahydro-5H,11H-pyrrolo[2,1-c][1,4]benzothiazepine-5,11-dione](/api/spectrum/cdMswGuEZE/structure.png?h=300&w=458 "1,2,3,11a-tetrahydro-5H,11H-pyrrolo[2,1-c][1,4]benzothiazepine-5,11-dione")
