| SpectraBase Compound ID | 9KkaRKftkvD |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20(22)23-3)24-18(2)21/h19H,4-17H2,1-3H3/t19-/m1/s1 |
| InChIKey | JBEOJACZAIJZFP-LJQANCHMSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0w4CmFBGYe |
|---|---|
| Name | Methyl (2R)-2-acetoxyheptadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20(22)23-3)24-18(2)21/h19H,4-17H2,1-3H3/t19-/m1/s1 |
| InChIKey | JBEOJACZAIJZFP-LJQANCHMSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C([C@@](CCCCCCCCCCCCCCC)(OC(C)=O)[H])(=O)OC |