| SpectraBase Compound ID | FWwHfWLF2fr |
|---|---|
| InChI | InChI=1S/C17H33FO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(18)16(19)17(20)21-2/h15-16,19H,3-14H2,1-2H3/t15-,16-/m1/s1 |
| InChIKey | CEICNKXXIZTELD-HZPDHXFCSA-N |
| Mol Weight | 304.4 g/mol |
| Molecular Formula | C17H33FO3 |
| Exact Mass | 304.241373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ed3jHrBdC6 |
|---|---|
| Name | Methyl anti-3-fluoro-2-hydroxyhexadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.241373083 u |
| Formula | C17H33FO3 |
| InChI | InChI=1S/C17H33FO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(18)16(19)17(20)21-2/h15-16,19H,3-14H2,1-2H3/t15-,16-/m1/s1 |
| InChIKey | CEICNKXXIZTELD-HZPDHXFCSA-N |
| Molecular Weight | 304.446 g/mol |
| SMILES | [C@@](C(=O)OC)([C@](F)(CCCCCCCCCCCCC)[H])(O)[H] |