| SpectraBase Compound ID | FW2FpkL5XlV |
|---|---|
| InChI | InChI=1S/C11H7F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3 |
| InChIKey | NLRDSVJADSYYGV-UHFFFAOYSA-N |
| Mol Weight | 456.15 g/mol |
| Molecular Formula | C11H7F15O2 |
| Exact Mass | 456.020652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5q6H39Iolgs |
|---|---|
| Name | Pentadecafluorooctanoic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.020651908 u |
| Formula | C11H7F15O2 |
| InChI | InChI=1S/C11H7F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3 |
| InChIKey | NLRDSVJADSYYGV-UHFFFAOYSA-N |
| Molecular Weight | 456.151 g/mol |
| SMILES | C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |