| SpectraBase Compound ID | EJWEkFHiD17 |
|---|---|
| InChI | InChI=1S/C19H22F15NO3/c1-4-5-6-7-38-11(36)10(8-9(2)3)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h9-10H,4-8H2,1-3H3,(H,35,37) |
| InChIKey | OYDGXQYONNDAOS-UHFFFAOYSA-N |
| Mol Weight | 597.37 g/mol |
| Molecular Formula | C19H22F15NO3 |
| Exact Mass | 597.136016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8d9FO0qooQC |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 597.136016014 u |
| Formula | C19H22F15NO3 |
| InChI | InChI=1S/C19H22F15NO3/c1-4-5-6-7-38-11(36)10(8-9(2)3)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h9-10H,4-8H2,1-3H3,(H,35,37) |
| InChIKey | OYDGXQYONNDAOS-UHFFFAOYSA-N |
| Molecular Weight | 597.365 g/mol |
| SMILES | CCCCCOC(=O)C(CC(C)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 |