| SpectraBase Compound ID | JuNv9B2t0Vb |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c1-3-11(8(2)12(14)15)9-4-6-10(13)7-5-9/h3-8,11H,1H2,2H3,(H,14,15) |
| InChIKey | DBZPTFHSOWKTMV-UHFFFAOYSA-N |
| Mol Weight | 269.14 g/mol |
| Molecular Formula | C12H13BrO2 |
| Exact Mass | 268.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FxFHBNQtnf9 |
|---|---|
| Name | 3-(4-Bromophenyl)-2-methylpent-4-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.009892657 u |
| Formula | C12H13BrO2 |
| InChI | InChI=1S/C12H13BrO2/c1-3-11(8(2)12(14)15)9-4-6-10(13)7-5-9/h3-8,11H,1H2,2H3,(H,14,15) |
| InChIKey | DBZPTFHSOWKTMV-UHFFFAOYSA-N |
| SMILES | C(C(C(C=1C=CC(=CC1)Br)C=C)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882894 |