| SpectraBase Compound ID | 5GzxYm6fuWW |
|---|---|
| InChI | InChI=1S/C6H5BrOS/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| InChIKey | KIZHERCPCURXDI-UHFFFAOYSA-N |
| Mol Weight | 205.07 g/mol |
| Molecular Formula | C6H5BrOS |
| Exact Mass | 203.924449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gv87hl80nXo |
|---|---|
| Name | 4-Bromo-2-sulfanylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.924448954 u |
| Formula | C6H5BrOS |
| InChI | InChI=1S/C6H5BrOS/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| InChIKey | KIZHERCPCURXDI-UHFFFAOYSA-N |
| Molecular Weight | 205.069 g/mol |
| SMILES | C1(=CC(Br)=CC=C1O)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937577 |