![4-[(E)-2-bromoethenyl]benzoic acid methyl ester](/api/spectrum/ByUAzTeE262/structure.png?h=300&w=458 "4-[(E)-2-bromoethenyl]benzoic acid methyl ester")
| SpectraBase Compound ID | F3VHJ5WNug |
|---|---|
| InChI | InChI=1S/C10H9BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-7H,1H3/b7-6+ |
| InChIKey | GLPHVWWHKQYBAD-VOTSOKGWSA-N |
| Mol Weight | 241.08 g/mol |
| Molecular Formula | C10H9BrO2 |
| Exact Mass | 239.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ByUAzTeE262 |
|---|---|
| Name | 4-[(E)-2-Bromoethenyl]benzoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.978592528 u |
| Formula | C10H9BrO2 |
| InChI | InChI=1S/C10H9BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-7H,1H3/b7-6+ |
| InChIKey | GLPHVWWHKQYBAD-VOTSOKGWSA-N |
| Molecular Weight | 241.084 g/mol |
| SMILES | C(C1=CC=C(\C=C\Br)C=C1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882737 |