| SpectraBase Compound ID | 9uzUR04r7Jg |
|---|---|
| InChI | InChI=1S/C30H44F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-49-22(47)21(19-20(2)3)46-23(48)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h20-21H,4-19H2,1-3H3,(H,46,48) |
| InChIKey | IKLYZNCCRODRRK-UHFFFAOYSA-N |
| Mol Weight | 751.7 g/mol |
| Molecular Formula | C30H44F15NO3 |
| Exact Mass | 751.308167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIXj1Ko4H5j |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 751.308166723 u |
| Formula | C30H44F15NO3 |
| InChI | InChI=1S/C30H44F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-49-22(47)21(19-20(2)3)46-23(48)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h20-21H,4-19H2,1-3H3,(H,46,48) |
| InChIKey | IKLYZNCCRODRRK-UHFFFAOYSA-N |
| Molecular Weight | 751.662 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(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 |