| SpectraBase Spectrum ID |
B4DIinXZxGt |
| Name |
11B-Hydroxy-1,3,4,5-tetrahydro-[1,4]thiazepino[3,4-A]isoindol-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.066699835 u |
| Formula |
C12H13NO2S |
| InChI |
InChI=1S/C12H13NO2S/c14-11-9-4-1-2-5-10(9)12(15)8-16-7-3-6-13(11)12/h1-2,4-5,15H,3,6-8H2 |
| InChIKey |
ATEXGFBQIRRBGT-UHFFFAOYSA-N |
| Molecular Weight |
235.301 g/mol |
| SMILES |
C12(N(C(C=3C=CC=CC23)=O)CCCSC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951892 |
![11B-Hydroxy-1,3,4,5-tetrahydro-[1,4]thiazepino[3,4-A]isoindol-7-one](/api/spectrum/B4DIinXZxGt/structure.png?h=300&w=458 "11B-Hydroxy-1,3,4,5-tetrahydro-[1,4]thiazepino[3,4-A]isoindol-7-one")
