![Benzene, 1-[(2-bromoethyl)thio]-4-methyl-](/api/spectrum/CuLn2L17pVg/structure.png?h=300&w=458 "Benzene, 1-[(2-bromoethyl)thio]-4-methyl-")
| SpectraBase Compound ID | 8ttRbIP0bVg |
|---|---|
| InChI | InChI=1S/C9H11BrS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | SJYMFNOEMCJVHR-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 | CuLn2L17pVg |
|---|---|
| Name | Benzene, 1-[(2-bromoethyl)thio]-4-methyl- |
| 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/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3 |
| InChIKey | SJYMFNOEMCJVHR-UHFFFAOYSA-N |
| Molecular Weight | 231.151 g/mol |
| SMILES | C=1(SCCBr)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863845 |