![2-[2'-Oxo-3'-butenyl-(4'-phenyl)]benzoic acid](/api/spectrum/42QEbUPKbZc/structure.png?h=300&w=458 "2-[2'-Oxo-3'-butenyl-(4'-phenyl)]benzoic acid")
| SpectraBase Compound ID | KkaQyWJ5YHB |
|---|---|
| InChI | InChI=1S/C17H14O3/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17(19)20/h1-11H,12H2,(H,19,20)/b11-10+ |
| InChIKey | OQDRGMCMERSHJU-ZHACJKMWSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C17H14O3 |
| Exact Mass | 266.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42QEbUPKbZc |
|---|---|
| Name | 2-[2'-oxo-3'-Butenyl-(4'-phenyl)]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.094294308 u |
| Formula | C17H14O3 |
| InChI | InChI=1S/C17H14O3/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17(19)20/h1-11H,12H2,(H,19,20)/b11-10+ |
| InChIKey | OQDRGMCMERSHJU-ZHACJKMWSA-N |
| Molecular Weight | 266.296 g/mol |
| SMILES | C(C=1C(CC(\C=C\C2=CC=CC=C2)=O)=CC=CC1)(=O)O |