| SpectraBase Compound ID | 76C0Pq4i9qY |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-11(15)18-12(10-14)8-6-4-3-5-7-9-13(16)17-2/h10,12H,3-9H2,1-2H3 |
| InChIKey | NRMOBXOMZGIEAK-UHFFFAOYSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hMpGlEPebc |
|---|---|
| Name | Methyl 9-acetoxy-10-oxodecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-11(15)18-12(10-14)8-6-4-3-5-7-9-13(16)17-2/h10,12H,3-9H2,1-2H3 |
| InChIKey | NRMOBXOMZGIEAK-UHFFFAOYSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | C(CCCCCCCC(C=O)OC(=O)C)(=O)OC |