| SpectraBase Compound ID | KKenfvVP1JJ |
|---|---|
| InChI | InChI=1S/C17H21F5O/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(23)16(18,19)17(20,21)22/h9-12H,2-8H2,1H3 |
| InChIKey | JDQACAUXQIPFFB-UHFFFAOYSA-N |
| Mol Weight | 336.35 g/mol |
| Molecular Formula | C17H21F5O |
| Exact Mass | 336.151256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Jeewq5pREK |
|---|---|
| Name | 1-Propanone, 2,2,3,3,3-pentafluoro-1-(4-octylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.151256110 u |
| Formula | C17H21F5O |
| InChI | InChI=1S/C17H21F5O/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(23)16(18,19)17(20,21)22/h9-12H,2-8H2,1H3 |
| InChIKey | JDQACAUXQIPFFB-UHFFFAOYSA-N |
| Molecular Weight | 336.346 g/mol |
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)C(F)(F)C(F)(F)F |