| SpectraBase Compound ID | 8L0IyeFSVAC |
|---|---|
| InChI | InChI=1S/C10H11BrO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,7H2,1H3/b8-2+ |
| InChIKey | QZORILSDLSFDSR-KRXBUXKQSA-N |
| Mol Weight | 275.16 g/mol |
| Molecular Formula | C10H11BrO2S |
| Exact Mass | 273.966314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8QuqNf9hDgW |
|---|---|
| Name | (E)-3-Bromo-1-tosyl-1-propene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.966313766 u |
| Formula | C10H11BrO2S |
| InChI | InChI=1S/C10H11BrO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,7H2,1H3/b8-2+ |
| InChIKey | QZORILSDLSFDSR-KRXBUXKQSA-N |
| SMILES | C=1(S(\C=C\CBr)(=O)=O)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858318 |