| SpectraBase Compound ID | JC4rpyMpWHD |
|---|---|
| InChI | InChI=1S/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23-2/h3-18H2,1-2H3 |
| InChIKey | KQBOCKGRSVWTAU-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C20H38O3 |
| Exact Mass | 326.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzDh5MJ9XcC |
|---|---|
| Name | Nonadecanoic acid, 3-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.282095081 u |
| Formula | C20H38O3 |
| InChI | InChI=1S/C20H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23-2/h3-18H2,1-2H3 |
| InChIKey | KQBOCKGRSVWTAU-UHFFFAOYSA-N |
| Molecular Weight | 326.521 g/mol |
| SMILES | C(CCCCCCCCCCCCCCC)C(CC(OC)=O)=O |