| SpectraBase Compound ID | IWhLs1lSEaK |
|---|---|
| InChI | InChI=1S/C22H22F15NO/c1-2-3-4-5-9-12-38(13-14-10-7-6-8-11-14)15(39)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| InChIKey | DTAJGMZCRYAPRW-UHFFFAOYSA-N |
| Mol Weight | 601.4 g/mol |
| Molecular Formula | C22H22F15NO |
| Exact Mass | 601.146187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qoIKsYOYSy |
|---|---|
| Name | Pentadecafluorooctanoylamide, N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 601.146186776 u |
| Formula | C22H22F15NO |
| InChI | InChI=1S/C22H22F15NO/c1-2-3-4-5-9-12-38(13-14-10-7-6-8-11-14)15(39)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h6-8,10-11H,2-5,9,12-13H2,1H3 |
| InChIKey | DTAJGMZCRYAPRW-UHFFFAOYSA-N |
| Molecular Weight | 601.400 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)CCCCCCC |