| SpectraBase Compound ID | 7DaW8zljC7x |
|---|---|
| InChI | InChI=1S/C23H30F15NO3/c1-4-5-6-7-8-9-10-11-42-15(40)14(12-13(2)3)39-16(41)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h13-14H,4-12H2,1-3H3,(H,39,41) |
| InChIKey | DKTMDJJWWNEGBW-UHFFFAOYSA-N |
| Mol Weight | 653.47 g/mol |
| Molecular Formula | C23H30F15NO3 |
| Exact Mass | 653.198616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5tOWaY0WaF |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 653.198616272 u |
| Formula | C23H30F15NO3 |
| InChI | InChI=1S/C23H30F15NO3/c1-4-5-6-7-8-9-10-11-42-15(40)14(12-13(2)3)39-16(41)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h13-14H,4-12H2,1-3H3,(H,39,41) |
| InChIKey | DKTMDJJWWNEGBW-UHFFFAOYSA-N |
| Molecular Weight | 653.473 g/mol |
| SMILES | CCCCCCCCCOC(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)=O |