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Pentadecafluorooctanoic acid, pentyl ester

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Pentadecafluorooctanoic acid, pentyl ester
SpectraBase Compound ID 6Lc0M9h9OHj
InChI InChI=1S/C13H11F15O2/c1-2-3-4-5-30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h2-5H2,1H3
InChIKey GVXBDIIUSCUEGI-UHFFFAOYSA-N
Mol Weight 484.21 g/mol
Molecular Formula C13H11F15O2
Exact Mass 484.051952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ER7na6fvDAt
Name Pentadecafluorooctanoic acid, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.051952037 u
Formula C13H11F15O2
InChI InChI=1S/C13H11F15O2/c1-2-3-4-5-30-6(29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h2-5H2,1H3
InChIKey GVXBDIIUSCUEGI-UHFFFAOYSA-N
Molecular Weight 484.205 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F