![3-[(E)-3-(2-hydroxyphenyl)-3-keto-prop-1-enyl]benzoic acid](/api/spectrum/rJd9Bo0oqh/structure.png?h=300&w=458 "3-[(E)-3-(2-hydroxyphenyl)-3-keto-prop-1-enyl]benzoic acid")
| SpectraBase Compound ID | 5SM8XXdKSSQ |
|---|---|
| InChI | InChI=1S/C16H12O4/c17-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)16(19)20/h1-10,17H,(H,19,20)/b9-8+ |
| InChIKey | GTVBOLIMAPUGAJ-CMDGGOBGSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C16H12O4 |
| Exact Mass | 268.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rJd9Bo0oqh |
|---|---|
| Name | 3-[(E)-3-(2-Hydroxyphenyl)-3-keto-prop-1-enyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.073558862 u |
| Formula | C16H12O4 |
| InChI | InChI=1S/C16H12O4/c17-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)16(19)20/h1-10,17H,(H,19,20)/b9-8+ |
| InChIKey | GTVBOLIMAPUGAJ-CMDGGOBGSA-N |
| SMILES | C(\C=C\C=1C=C(C=CC1)C(=O)O)(=O)C=1C(=CC=CC1)O |