| SpectraBase Compound ID | DyUPL4l6wdW |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-7(2)8(11)6-9(12)13-10(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | BTHNEHUFXUBOQG-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4O1j2i9KWxS |
|---|---|
| Name | Pentanoic acid, 4-methyl-3-oxo-, 1,1-dimethylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-7(2)8(11)6-9(12)13-10(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | BTHNEHUFXUBOQG-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(C(OC(C)(C)C)=O)C(=O)C(C)C |