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Pentadecafluorooctanoic acid, 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, 2-ethylhexyl ester
SpectraBase Compound ID IrHKZ6WyHm3
InChI InChI=1S/C16H17F15O2/c1-3-5-6-8(4-2)7-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8H,3-7H2,1-2H3
InChIKey LRNRQNCWHBHJOC-UHFFFAOYSA-N
Mol Weight 526.29 g/mol
Molecular Formula C16H17F15O2
Exact Mass 526.098902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFGGzs0y73A
Name Pentadecafluorooctanoic acid, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 526.098902230 u
Formula C16H17F15O2
InChI InChI=1S/C16H17F15O2/c1-3-5-6-8(4-2)7-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8H,3-7H2,1-2H3
InChIKey LRNRQNCWHBHJOC-UHFFFAOYSA-N
Molecular Weight 526.286 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCC(CC)CCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F