| SpectraBase Compound ID | FhrsgGnxuFU |
|---|---|
| InChI | InChI=1S/C29H42F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-48-21(46)20(18-19(2)3)45-22(47)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44/h19-20H,4-18H2,1-3H3,(H,45,47) |
| InChIKey | UNWQENSJNXCAFF-UHFFFAOYSA-N |
| Mol Weight | 737.6 g/mol |
| Molecular Formula | C29H42F15NO3 |
| Exact Mass | 737.292517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yosyNGiR9R |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 737.292516658 u |
| Formula | C29H42F15NO3 |
| InChI | InChI=1S/C29H42F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-48-21(46)20(18-19(2)3)45-22(47)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44/h19-20H,4-18H2,1-3H3,(H,45,47) |
| InChIKey | UNWQENSJNXCAFF-UHFFFAOYSA-N |
| Molecular Weight | 737.635 g/mol |
| SMILES | C(COC(=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)CCCCCCCCCCCCC |