| SpectraBase Spectrum ID |
uc9TcqFXiG |
| Name |
5-Benzoyl-2,3-dihydro-2-pheny-1,5-benzothiazepine-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.097999963 u |
| Formula |
C22H17NO2S |
| InChI |
InChI=1S/C22H17NO2S/c24-21-15-20(16-9-3-1-4-10-16)26-19-14-8-7-13-18(19)23(21)22(25)17-11-5-2-6-12-17/h1-14,20H,15H2 |
| InChIKey |
TYOKEABPBGSYLE-UHFFFAOYSA-N |
| Molecular Weight |
359.443 g/mol |
| SMILES |
C1(N(C=2C(SC(C1)C1=CC=CC=C1)=CC=CC2)C(=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807824 |
