![5-[p-Bromophenyl]-2,4-pentadienoic acid ethyl ester](/api/spectrum/8bSdV4pVUf0/structure.png?h=300&w=458 "5-[p-Bromophenyl]-2,4-pentadienoic acid ethyl ester")
| SpectraBase Compound ID | HRWZcV3RH9m |
|---|---|
| InChI | InChI=1S/C13H13BrO2/c1-2-16-13(15)6-4-3-5-11-7-9-12(14)10-8-11/h3-10H,2H2,1H3/b5-3+,6-4+ |
| InChIKey | XMIHFSAMVBEBFN-GGWOSOGESA-N |
| Mol Weight | 281.15 g/mol |
| Molecular Formula | C13H13BrO2 |
| Exact Mass | 280.009893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bSdV4pVUf0 |
|---|---|
| Name | 5-[p-Bromophenyl]-2,4-pentadienoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.009892657 u |
| Formula | C13H13BrO2 |
| InChI | InChI=1S/C13H13BrO2/c1-2-16-13(15)6-4-3-5-11-7-9-12(14)10-8-11/h3-10H,2H2,1H3/b5-3+,6-4+ |
| InChIKey | XMIHFSAMVBEBFN-GGWOSOGESA-N |
| SMILES | C1(=CC=C(C=C1)\C=C\C=C\C(OCC)=O)Br |