| SpectraBase Compound ID | 8p1LPQqstSR |
|---|---|
| InChI | InChI=1S/C17H16O3/c1-13(18)16(15-10-6-3-7-11-15)17(19)20-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3 |
| InChIKey | LEECWZRDIVGVTQ-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 | 8UL79qti9R6 |
|---|---|
| Name | Benzyl 3-oxo-2-phenylbutanoate |
| 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/c1-13(18)16(15-10-6-3-7-11-15)17(19)20-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3 |
| InChIKey | LEECWZRDIVGVTQ-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C(C(OCC=1C=CC=CC1)=O)(C(=O)C)C1=CC=CC=C1 |