| SpectraBase Compound ID | IfVnl5r0mdS |
|---|---|
| InChI | InChI=1S/C9H11BrS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3 |
| InChIKey | URXHDNUHHLLHPJ-UHFFFAOYSA-N |
| Mol Weight | 231.15 g/mol |
| Molecular Formula | C9H11BrS |
| Exact Mass | 229.976485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IXamSKtOZ5l |
|---|---|
| Name | (2-Bromobenzyl)(ethyl)sulfane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.976484528 u |
| Formula | C9H11BrS |
| InChI | InChI=1S/C9H11BrS/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3 |
| InChIKey | URXHDNUHHLLHPJ-UHFFFAOYSA-N |
| Molecular Weight | 231.151 g/mol |
| SMILES | C(SCC1=C(C=CC=C1)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876762 |