| SpectraBase Compound ID | GbhP8460mxd |
|---|---|
| InChI | InChI=1S/C21H26F15NO3/c1-4-5-6-7-8-9-40-13(38)12(10-11(2)3)37-14(39)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h11-12H,4-10H2,1-3H3,(H,37,39) |
| InChIKey | NPRCVNOQIQHMNM-UHFFFAOYSA-N |
| Mol Weight | 625.42 g/mol |
| Molecular Formula | C21H26F15NO3 |
| Exact Mass | 625.167316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DCYSdAnEwbU |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 625.167316143 u |
| Formula | C21H26F15NO3 |
| InChI | InChI=1S/C21H26F15NO3/c1-4-5-6-7-8-9-40-13(38)12(10-11(2)3)37-14(39)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h11-12H,4-10H2,1-3H3,(H,37,39) |
| InChIKey | NPRCVNOQIQHMNM-UHFFFAOYSA-N |
| Molecular Weight | 625.419 g/mol |
| SMILES | CCCCCCCOC(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 |