| SpectraBase Compound ID | 3q3DN8VUHcS |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | PRTKMICNYGEWGB-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 | Kk3gQgmyXdw |
|---|---|
| Name | Tert-butyl 3-oxo-3-phenylpropanoate |
| 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/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey | PRTKMICNYGEWGB-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C=1C=C(C=CC1)C(CC(OC(C)(C)C)=O)=O |