| SpectraBase Compound ID | 3Ka784p2Rhw |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-8(11)7-9(13-2)5-4-6-10(12)14-3/h9H,4-7H2,1-3H3 |
| InChIKey | RUNXKJOPRFBQIA-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwksqITAEYs |
|---|---|
| Name | Methyl 7-oxo-5-methoxyoctanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-8(11)7-9(13-2)5-4-6-10(12)14-3/h9H,4-7H2,1-3H3 |
| InChIKey | RUNXKJOPRFBQIA-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | C(=O)(OC)CCCC(CC(=O)C)OC |