| SpectraBase Spectrum ID |
JvJEGRns3gX |
| Name |
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-2-(3-chlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.032812883 u |
| Formula |
C15H12ClNOS |
| InChI |
InChI=1S/C15H12ClNOS/c16-11-5-3-4-10(8-11)14-9-15(18)17-12-6-1-2-7-13(12)19-14/h1-8,14H,9H2,(H,17,18) |
| InChIKey |
RTNIBKIWELCLBZ-UHFFFAOYSA-N |
| Molecular Weight |
289.780 g/mol |
| SMILES |
C1=CC=C2C(=C1)SC(CC(=O)N2)C1=CC(Cl)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873091 |
