![5-[p-[Bromophenyl]-2,4-pentadienoic acid](/api/spectrum/HPpDLCfqmb/structure.png?h=300&w=458 "5-[p-[Bromophenyl]-2,4-pentadienoic acid")
| SpectraBase Compound ID | 8sXFoATQiNf |
|---|---|
| InChI | InChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)/b3-1+,4-2+ |
| InChIKey | VOYSRRAAFWNKEK-ZPUQHVIOSA-N |
| Mol Weight | 253.09 g/mol |
| Molecular Formula | C11H9BrO2 |
| Exact Mass | 251.978593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPpDLCfqmb |
|---|---|
| Name | 5-[p-[Bromophenyl]-2,4-pentadienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.978592528 u |
| Formula | C11H9BrO2 |
| InChI | InChI=1S/C11H9BrO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8H,(H,13,14)/b3-1+,4-2+ |
| InChIKey | VOYSRRAAFWNKEK-ZPUQHVIOSA-N |
| Molecular Weight | 253.095 g/mol |
| SMILES | C1=CC(\C=C\C=C\C(O)=O)=CC=C1Br |