| SpectraBase Compound ID | 3FtI51BNNj3 |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-10(9-13(15)17-3)11(2)14(16)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey | QRTQNVGDPFJTGX-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 | Ht5zXvV9lCl |
|---|---|
| Name | Methyl 3,4-dimethyl-5-oxo-5-phenylpentanoate |
| 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/c1-10(9-13(15)17-3)11(2)14(16)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey | QRTQNVGDPFJTGX-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(CC(C(C(C=1C=CC=CC1)=O)C)C)(=O)OC |