| SpectraBase Spectrum ID |
GKqMJCHoqxh |
| Name |
2-Bromo-4-chloro-5-phenyl-2,3-dihydro-1-benzothiepin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.953162260 u |
| Formula |
C16H12BrClS |
| InChI |
InChI=1S/C16H12BrClS/c17-15-10-13(18)16(11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-15/h1-9,15H,10H2 |
| InChIKey |
FORNGGAUODZKEO-UHFFFAOYSA-N |
| Molecular Weight |
351.689 g/mol |
| SMILES |
C1(=C(C=2C(=CC=CC2)SC(C1)Br)C=1C=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803216 |
