| SpectraBase Compound ID | 5kjs2eNIV4h |
|---|---|
| InChI | InChI=1S/C33H44F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-49(24-25-21-18-17-19-22-25)26(50)27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)32(44,45)33(46,47)48/h17-19,21-22H,2-16,20,23-24H2,1H3 |
| InChIKey | ZCDONOCJPHDVMO-UHFFFAOYSA-N |
| Mol Weight | 755.7 g/mol |
| Molecular Formula | C33H44F15NO |
| Exact Mass | 755.318337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9qq99PQQHD |
|---|---|
| Name | Pentadecafluorooctanoylamide, N-benzyl-N-octadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 755.318337485 u |
| Formula | C33H44F15NO |
| InChI | InChI=1S/C33H44F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-49(24-25-21-18-17-19-22-25)26(50)27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)32(44,45)33(46,47)48/h17-19,21-22H,2-16,20,23-24H2,1H3 |
| InChIKey | ZCDONOCJPHDVMO-UHFFFAOYSA-N |
| Molecular Weight | 755.697 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)CCCCCCCCCCCCCCCCCC |