| SpectraBase Compound ID | Hk9Tnndxttb |
|---|---|
| InChI | InChI=1S/C16H22O3/c1-12(11-15(18)19-16(2,3)4)10-14(17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 |
| InChIKey | YDTOKMZJVLIHSK-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C16H22O3 |
| Exact Mass | 262.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jcHuSPcxCa |
|---|---|
| Name | 3-Methyl-5-oxo-5-phenylpentanoic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.156894565 u |
| Formula | C16H22O3 |
| InChI | InChI=1S/C16H22O3/c1-12(11-15(18)19-16(2,3)4)10-14(17)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 |
| InChIKey | YDTOKMZJVLIHSK-UHFFFAOYSA-N |
| Molecular Weight | 262.349 g/mol |
| SMILES | C(CC(CC(C=1C=CC=CC1)=O)C)(=O)OC(C)(C)C |