| SpectraBase Compound ID | 2bKexhoCPjW |
|---|---|
| InChI | InChI=1S/C25H32F15NO3/c1-3-5-6-7-8-9-10-11-12-13-15-44-17(42)16(14-4-2)41-18(43)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h4,16H,2-3,5-15H2,1H3,(H,41,43) |
| InChIKey | SJENCRWVLBWWBM-UHFFFAOYSA-N |
| Mol Weight | 679.5 g/mol |
| Molecular Formula | C25H32F15NO3 |
| Exact Mass | 679.214266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJLYcbnj6pu |
|---|---|
| Name | D-Allylglycine, N-pentadecafluorooctanoyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 679.214266336 u |
| Formula | C25H32F15NO3 |
| InChI | InChI=1S/C25H32F15NO3/c1-3-5-6-7-8-9-10-11-12-13-15-44-17(42)16(14-4-2)41-18(43)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h4,16H,2-3,5-15H2,1H3,(H,41,43) |
| InChIKey | SJENCRWVLBWWBM-UHFFFAOYSA-N |
| Molecular Weight | 679.511 g/mol |
| SMILES | CCCCCCCCCCCCOC(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)=O |