| SpectraBase Compound ID | Hw6odmNBZOW |
|---|---|
| InChI | InChI=1S/C12H9F15O2/c1-2-3-4-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3 |
| InChIKey | SBMFZWPPSPRLTN-UHFFFAOYSA-N |
| Mol Weight | 470.18 g/mol |
| Molecular Formula | C12H9F15O2 |
| Exact Mass | 470.036302 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7G5eX3Rkmkn |
|---|---|
| Name | Pentadecafluorooctanoic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.036301973 u |
| Formula | C12H9F15O2 |
| InChI | InChI=1S/C12H9F15O2/c1-2-3-4-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3 |
| InChIKey | SBMFZWPPSPRLTN-UHFFFAOYSA-N |
| Molecular Weight | 470.178 g/mol |
| SMILES | C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F |