| SpectraBase Compound ID | 86Njuyf1JEQ |
|---|---|
| InChI | InChI=1S/C21H39F3O3/c1-4-5-6-7-8-9-10-11-15-18(25)19(16-13-12-14-17(2)3)27-20(26)21(22,23)24/h17-19,25H,4-16H2,1-3H3 |
| InChIKey | MOXWMTHDMFBZQG-UHFFFAOYSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C21H39F3O3 |
| Exact Mass | 396.28513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Epm3NnCIecL |
|---|---|
| Name | 2-Methyloctadecanedi-7,8-ol, 7-o-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.285129602 u |
| Formula | C21H39F3O3 |
| InChI | InChI=1S/C21H39F3O3/c1-4-5-6-7-8-9-10-11-15-18(25)19(16-13-12-14-17(2)3)27-20(26)21(22,23)24/h17-19,25H,4-16H2,1-3H3 |
| InChIKey | MOXWMTHDMFBZQG-UHFFFAOYSA-N |
| Molecular Weight | 396.535 g/mol |
| SMILES | CCCCCCCCCCC(C(CCCCC(C)C)OC(C(F)(F)F)=O)O |