| SpectraBase Compound ID | GGAl0AiJdwE |
|---|---|
| InChI | InChI=1S/C16H14O2/c17-16(18)12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,17,18)/b15-12+ |
| InChIKey | KRWLHLVFJSURTL-NTCAYCPXSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FER9ldpPJUi |
|---|---|
| Name | (E)-3,4-Diphenyl-2-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c17-16(18)12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,17,18)/b15-12+ |
| InChIKey | KRWLHLVFJSURTL-NTCAYCPXSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C(\C=C/(CC1=CC=CC=C1)C=1C=CC=CC1)(=O)O |