![Benzene, [(4-bromo-2-butenyl)thio]-, (E)-](/api/spectrum/BysDbWqXWk1/structure.png?h=300&w=458 "Benzene, [(4-bromo-2-butenyl)thio]-, (E)-")
| SpectraBase Compound ID | LkJHv2ohDe1 |
|---|---|
| InChI | InChI=1S/C10H11BrS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-7H,8-9H2/b5-4+ |
| InChIKey | OMUHHIDKPLKODY-SNAWJCMRSA-N |
| Mol Weight | 243.16 g/mol |
| Molecular Formula | C10H11BrS |
| Exact Mass | 241.976485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BysDbWqXWk1 |
|---|---|
| Name | Benzene, [(4-bromo-2-butenyl)thio]-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.976484528 u |
| Formula | C10H11BrS |
| InChI | InChI=1S/C10H11BrS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-7H,8-9H2/b5-4+ |
| InChIKey | OMUHHIDKPLKODY-SNAWJCMRSA-N |
| Molecular Weight | 243.162 g/mol |
| SMILES | C(\C=C\CSC1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857294 |