| SpectraBase Compound ID | 6aRWGDNNyi0 |
|---|---|
| InChI | InChI=1S/C18H36O3/c1-3-4-5-6-8-11-14-18(21-17(2)20)15-12-9-7-10-13-16-19/h18-19H,3-16H2,1-2H3/t18-/m0/s1 |
| InChIKey | FMGDVPRDHQJHHP-SFHVURJKSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C18H36O3 |
| Exact Mass | 300.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xKvNPuUxxm |
|---|---|
| Name | (S)-8-Acetoxy-1-hexadecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.266445016 u |
| Formula | C18H36O3 |
| InChI | InChI=1S/C18H36O3/c1-3-4-5-6-8-11-14-18(21-17(2)20)15-12-9-7-10-13-16-19/h18-19H,3-16H2,1-2H3/t18-/m0/s1 |
| InChIKey | FMGDVPRDHQJHHP-SFHVURJKSA-N |
| SMILES | C(=O)(O[C@@](CCCCCCCC)(CCCCCCCO)[H])C |