| SpectraBase Compound ID | GxHLClPkRR7 |
|---|---|
| InChI | InChI=1S/C20H24F15NO3/c1-4-5-6-7-8-39-12(37)11(9-10(2)3)36-13(38)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h10-11H,4-9H2,1-3H3,(H,36,38) |
| InChIKey | GKVUGNWXOHFCLE-UHFFFAOYSA-N |
| Mol Weight | 611.39 g/mol |
| Molecular Formula | C20H24F15NO3 |
| Exact Mass | 611.151666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7HrKzxzB9y |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 611.151666079 u |
| Formula | C20H24F15NO3 |
| InChI | InChI=1S/C20H24F15NO3/c1-4-5-6-7-8-39-12(37)11(9-10(2)3)36-13(38)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h10-11H,4-9H2,1-3H3,(H,36,38) |
| InChIKey | GKVUGNWXOHFCLE-UHFFFAOYSA-N |
| Molecular Weight | 611.392 g/mol |
| SMILES | CCCCCCOC(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 |