| SpectraBase Compound ID | 58BEmodsR8w |
|---|---|
| InChI | InChI=1S/C12H13BrO2/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2,(H,14,15) |
| InChIKey | DZYKUSQMRNIDJG-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 | 7jayi2NMOXc |
|---|---|
| Name | 5-Bromo-3-phenylhex-5-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/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2,(H,14,15) |
| InChIKey | DZYKUSQMRNIDJG-UHFFFAOYSA-N |
| SMILES | C(CC(Br)=C)(CC(O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948123 |