| SpectraBase Compound ID | CxZB30Q8zAE |
|---|---|
| InChI | InChI=1S/C17H16O3/c18-16(14-9-5-2-6-10-14)12-15(17(19)20)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,20) |
| InChIKey | QPORTTBGWVROJY-UHFFFAOYSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C17H16O3 |
| Exact Mass | 268.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmmhX6McGB |
|---|---|
| Name | 2-Benzyl-4-oxo-4-phenyl-butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.109944372 u |
| Formula | C17H16O3 |
| InChI | InChI=1S/C17H16O3/c18-16(14-9-5-2-6-10-14)12-15(17(19)20)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,20) |
| InChIKey | QPORTTBGWVROJY-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C1(=CC=CC=C1)C(=O)CC(CC1=CC=CC=C1)C(O)=O |