| SpectraBase Compound ID | 5KXGm5bNFWI |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-10(9-13(15)16-2)8-12(14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | ALNDZUCXUVJBGY-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YZYB62rwZv |
|---|---|
| Name | Methyl 3-methyl-5-oxo-5-phenylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-10(9-13(15)16-2)8-12(14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | ALNDZUCXUVJBGY-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(CC(CC(C=1C=CC=CC1)=O)C)(OC)=O |