![2-[(2-Bromophenyl)thio]ethanol](/api/spectrum/H2vd5DKIxVZ/structure.png?h=300&w=458 "2-[(2-Bromophenyl)thio]ethanol")
| SpectraBase Compound ID | LqPwMYyaKMl |
|---|---|
| InChI | InChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2 |
| InChIKey | IQSSYWVFPQBQLS-UHFFFAOYSA-N |
| Mol Weight | 233.12 g/mol |
| Molecular Formula | C8H9BrOS |
| Exact Mass | 231.955749 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H2vd5DKIxVZ |
|---|---|
| Name | 2-[(2-Bromophenyl)thio]ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.955749083 u |
| Formula | C8H9BrOS |
| InChI | InChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2 |
| InChIKey | IQSSYWVFPQBQLS-UHFFFAOYSA-N |
| Molecular Weight | 233.123 g/mol |
| SMILES | C=1(C(Br)=CC=CC1)SCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916962 |