| SpectraBase Compound ID | BTFpHYI5nPW |
|---|---|
| InChI | InChI=1S/C17H12F15NO/c18-11(19,10(34)33-8-4-7-9-5-2-1-3-6-9)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h1-3,5-6H,4,7-8H2,(H,33,34) |
| InChIKey | BJFYNJIGRDKWMU-UHFFFAOYSA-N |
| Mol Weight | 531.27 g/mol |
| Molecular Formula | C17H12F15NO |
| Exact Mass | 531.067936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IkeZ0TBx6Qz |
|---|---|
| Name | N-(3-Phenyl-propyl)-pentadecafluoro-octanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 531.067936454 u |
| Formula | C17H12F15NO |
| InChI | InChI=1S/C17H12F15NO/c18-11(19,10(34)33-8-4-7-9-5-2-1-3-6-9)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h1-3,5-6H,4,7-8H2,(H,33,34) |
| InChIKey | BJFYNJIGRDKWMU-UHFFFAOYSA-N |
| Molecular Weight | 531.265 g/mol |
| SMILES | C1=CC=C(C=C1)CCCNC(=O)C(C(F)(C(C(F)(C(C(F)(C(F)(F)F)F)(F)F)F)(F)F)F)(F)F |