![5-[4-Biphenyl]-2,4-pentadienoic acid](/api/spectrum/74uMfVL7joq/structure.png?h=300&w=458 "5-[4-Biphenyl]-2,4-pentadienoic acid")
| SpectraBase Compound ID | 3tSJtIQTqz2 |
|---|---|
| InChI | InChI=1S/C17H14O2/c18-17(19)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-13H,(H,18,19)/b6-4+,9-5+ |
| InChIKey | HJNTVIYWZXFGLM-REZHQCRGSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C17H14O2 |
| Exact Mass | 250.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74uMfVL7joq |
|---|---|
| Name | 5-[4-Biphenyl]-2,4-pentadienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.099379689 u |
| Formula | C17H14O2 |
| InChI | InChI=1S/C17H14O2/c18-17(19)9-5-4-6-14-10-12-16(13-11-14)15-7-2-1-3-8-15/h1-13H,(H,18,19)/b6-4+,9-5+ |
| InChIKey | HJNTVIYWZXFGLM-REZHQCRGSA-N |
| Molecular Weight | 250.297 g/mol |
| SMILES | C1=CC(C2=CC=C(C=C2)\C=C\C=C\C(=O)O)=CC=C1 |