| SpectraBase Compound ID | Lw4M52uHcWG |
|---|---|
| InChI | InChI=1S/C14H12Br2S/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2 |
| InChIKey | CLOIRDNBALNYDO-UHFFFAOYSA-N |
| Mol Weight | 372.12 g/mol |
| Molecular Formula | C14H12Br2S |
| Exact Mass | 369.902648 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2it2QQuJhEB |
|---|---|
| Name | bis(2-Bromobenzyl)sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.902647560 u |
| Formula | C14H12Br2S |
| InChI | InChI=1S/C14H12Br2S/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2 |
| InChIKey | CLOIRDNBALNYDO-UHFFFAOYSA-N |
| Molecular Weight | 372.118 g/mol |
| SMILES | C(SCC=1C(=CC=CC1)Br)C=1C(=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941951 |