| SpectraBase Compound ID | 3CRziojfc0K |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-4-17-14(16)13(11(3)15)10(2)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3 |
| InChIKey | MNNWWCGUHJRQRB-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqIE9MRtKWi |
|---|---|
| Name | 3-oxo-2-(1-Phenyl-ethyl)-butyric acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-4-17-14(16)13(11(3)15)10(2)12-8-6-5-7-9-12/h5-10,13H,4H2,1-3H3 |
| InChIKey | MNNWWCGUHJRQRB-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(C(C(C)C=1C=CC=CC1)C(=O)C)(=O)OCC |