| SpectraBase Compound ID | 89kjQD3Qgj7 |
|---|---|
| InChI | InChI=1S/C26H36F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-45-18(43)17(15-16(2)3)42-19(44)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h16-17H,4-15H2,1-3H3,(H,42,44) |
| InChIKey | XXZOFTZJSVNQDE-UHFFFAOYSA-N |
| Mol Weight | 695.6 g/mol |
| Molecular Formula | C26H36F15NO3 |
| Exact Mass | 695.245566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | n9jCtP6ON |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 695.245566465 u |
| Formula | C26H36F15NO3 |
| InChI | InChI=1S/C26H36F15NO3/c1-4-5-6-7-8-9-10-11-12-13-14-45-18(43)17(15-16(2)3)42-19(44)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h16-17H,4-15H2,1-3H3,(H,42,44) |
| InChIKey | XXZOFTZJSVNQDE-UHFFFAOYSA-N |
| Molecular Weight | 695.554 g/mol |
| SMILES | CCCCCCCCCCCCOC(=O)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 |