| SpectraBase Compound ID | EyTbGuniUH5 |
|---|---|
| InChI | InChI=1S/C31H40F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-47(22-23-19-16-15-17-20-23)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h15-17,19-20H,2-14,18,21-22H2,1H3 |
| InChIKey | FQADPVGGFYNYPS-UHFFFAOYSA-N |
| Mol Weight | 727.6 g/mol |
| Molecular Formula | C31H40F15NO |
| Exact Mass | 727.287037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnIF64CVMDa |
|---|---|
| Name | Pentadecafluorooctanoylamide, N-benzyl-N-hexadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 727.287037356 u |
| Formula | C31H40F15NO |
| InChI | InChI=1S/C31H40F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-47(22-23-19-16-15-17-20-23)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h15-17,19-20H,2-14,18,21-22H2,1H3 |
| InChIKey | FQADPVGGFYNYPS-UHFFFAOYSA-N |
| Molecular Weight | 727.643 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)CCCCCCCCCCCCCCCC |