| SpectraBase Compound ID | Cgt7YC2pf2D |
|---|---|
| InChI | InChI=1S/C21H24F15NO3/c1-3-5-6-7-8-9-11-40-13(38)12(10-4-2)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/h4,12H,2-3,5-11H2,1H3,(H,37,39) |
| InChIKey | MHRHOQBWGDXVLW-UHFFFAOYSA-N |
| Mol Weight | 623.4 g/mol |
| Molecular Formula | C21H24F15NO3 |
| Exact Mass | 623.151666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FN3aLkZdRXE |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 623.151666079 u |
| Formula | C21H24F15NO3 |
| InChI | InChI=1S/C21H24F15NO3/c1-3-5-6-7-8-9-11-40-13(38)12(10-4-2)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/h4,12H,2-3,5-11H2,1H3,(H,37,39) |
| InChIKey | MHRHOQBWGDXVLW-UHFFFAOYSA-N |
| Molecular Weight | 623.403 g/mol |
| SMILES | CCCCCCCCOC(=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 |