| SpectraBase Compound ID | AVXo2g26OZT |
|---|---|
| InChI | InChI=1S/C10H11BrOS/c1-7(2)10(12)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3 |
| InChIKey | AAZQFHRFLRTJIG-UHFFFAOYSA-N |
| Mol Weight | 259.16 g/mol |
| Molecular Formula | C10H11BrOS |
| Exact Mass | 257.971399 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FTCQannPbFw |
|---|---|
| Name | 2-Bromothiophenol, S-(2-methylpropionyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.971399147 u |
| Formula | C10H11BrOS |
| InChI | InChI=1S/C10H11BrOS/c1-7(2)10(12)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3 |
| InChIKey | AAZQFHRFLRTJIG-UHFFFAOYSA-N |
| Molecular Weight | 259.161 g/mol |
| SMILES | C1(SC(C(C)C)=O)=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873039 |