| SpectraBase Compound ID | Iw1NKth8hio |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-7(2)5-9(11)6-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3 |
| InChIKey | CNPGSFGWODJGPZ-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 | 1SVY6ehul70 |
|---|---|
| Name | Methyl 2,6-dimethyl-4-oxoheptanoate |
| 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)5-9(11)6-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3 |
| InChIKey | CNPGSFGWODJGPZ-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(C(CC(CC(C)C)=O)C)(=O)OC |