| SpectraBase Compound ID | GtACAaKDeM3 |
|---|---|
| InChI | InChI=1S/C19H18O4/c1-2-23-19(22)16(18(21)15-11-7-4-8-12-15)13-17(20)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3 |
| InChIKey | PNMLOOBLEBXYGE-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C19H18O4 |
| Exact Mass | 310.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgLvMpWZLGW |
|---|---|
| Name | 2-Benzoyl-4-keto-4-phenyl-butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.120509056 u |
| Formula | C19H18O4 |
| InChI | InChI=1S/C19H18O4/c1-2-23-19(22)16(18(21)15-11-7-4-8-12-15)13-17(20)14-9-5-3-6-10-14/h3-12,16H,2,13H2,1H3 |
| InChIKey | PNMLOOBLEBXYGE-UHFFFAOYSA-N |
| Molecular Weight | 310.349 g/mol |
| SMILES | C(C(CC(C=1C=CC=CC1)=O)C(C=1C=CC=CC1)=O)(=O)OCC |