| SpectraBase Compound ID | 4HQPOKNOTZK |
|---|---|
| InChI | InChI=1S/C18H11F17O/c1-8(9-5-3-2-4-6-9)7-10(36)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-6,8H,7H2,1H3 |
| InChIKey | TXZAGJWMPIKSLB-UHFFFAOYSA-N |
| Mol Weight | 566.26 g/mol |
| Molecular Formula | C18H11F17O |
| Exact Mass | 566.053844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4dayF6FtWNz |
|---|---|
| Name | 1-(2-Methyl-2-phenylethyl)perfluorononanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 566.053843744 u |
| Formula | C18H11F17O |
| InChI | InChI=1S/C18H11F17O/c1-8(9-5-3-2-4-6-9)7-10(36)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-6,8H,7H2,1H3 |
| InChIKey | TXZAGJWMPIKSLB-UHFFFAOYSA-N |
| Molecular Weight | 566.258 g/mol |
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(CC(C1=CC=CC=C1)C)=O)(F)F)(F)F)(F)F)(F)F |