| SpectraBase Compound ID | 2YOZkHPblAD |
|---|---|
| InChI | InChI=1S/C32H48F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-51-24(49)23(21-22(2)3)48-25(50)26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47/h22-23H,4-21H2,1-3H3,(H,48,50) |
| InChIKey | CCKGFEKKYAXAHZ-UHFFFAOYSA-N |
| Mol Weight | 779.7 g/mol |
| Molecular Formula | C32H48F15NO3 |
| Exact Mass | 779.339467 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GmBWJKgzIU |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 779.339466852 u |
| Formula | C32H48F15NO3 |
| InChI | InChI=1S/C32H48F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-51-24(49)23(21-22(2)3)48-25(50)26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47/h22-23H,4-21H2,1-3H3,(H,48,50) |
| InChIKey | CCKGFEKKYAXAHZ-UHFFFAOYSA-N |
| Molecular Weight | 779.716 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCOC(C(NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)CC(C)C)=O |