| SpectraBase Compound ID | FyZ5K9mQyK2 |
|---|---|
| InChI | InChI=1S/C18H16O3/c19-17(12-13-18(20)21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11H,12-13H2,(H,20,21)/b11-8+ |
| InChIKey | TXROBHJATHQENG-DHZHZOJOSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFWFetQoxjG |
|---|---|
| Name | (E)-6-Biphenyl-4-yl-4-oxohex-5-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c19-17(12-13-18(20)21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-11H,12-13H2,(H,20,21)/b11-8+ |
| InChIKey | TXROBHJATHQENG-DHZHZOJOSA-N |
| SMILES | C=1(\C=C\C(=O)CCC(=O)O)C=CC(=CC1)C=1C=CC=CC1 |