| SpectraBase Compound ID | COoF7i0nDol |
|---|---|
| InChI | InChI=1S/C21H20F15NO/c1-2-3-4-8-11-37(12-13-9-6-5-7-10-13)14(38)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey | DMURRZZNZJHWNL-UHFFFAOYSA-N |
| Mol Weight | 587.37 g/mol |
| Molecular Formula | C21H20F15NO |
| Exact Mass | 587.130537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtqZB2iEdwz |
|---|---|
| Name | Pentadecafluorooctanoylamide, N-benzyl-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 587.130536712 u |
| Formula | C21H20F15NO |
| InChI | InChI=1S/C21H20F15NO/c1-2-3-4-8-11-37(12-13-9-6-5-7-10-13)14(38)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey | DMURRZZNZJHWNL-UHFFFAOYSA-N |
| Molecular Weight | 587.373 g/mol |
| SMILES | C1=CC=C(C=C1)CN(C(=O)C(C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCC |