| SpectraBase Compound ID | KyM1o4T3gLl |
|---|---|
| InChI | InChI=1S/C12H22O3/c1-4-5-6-7-8-11(13)10(2)9-12(14)15-3/h10H,4-9H2,1-3H3 |
| InChIKey | RZOVZLGKQWEUCM-UHFFFAOYSA-N |
| Mol Weight | 214.3 g/mol |
| Molecular Formula | C12H22O3 |
| Exact Mass | 214.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBTZrjM2wQO |
|---|---|
| Name | Methyl 3-methyl-4-oxodecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.156894565 u |
| Formula | C12H22O3 |
| InChI | InChI=1S/C12H22O3/c1-4-5-6-7-8-11(13)10(2)9-12(14)15-3/h10H,4-9H2,1-3H3 |
| InChIKey | RZOVZLGKQWEUCM-UHFFFAOYSA-N |
| Molecular Weight | 214.305 g/mol |
| SMILES | C(CC(C(CCCCCC)=O)C)(=O)OC |