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Pentadecafluorooctanoic acid, undecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, undecyl ester
SpectraBase Compound ID BSNbF5sOJNl
InChI InChI=1S/C19H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-36-12(35)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-11H2,1H3
InChIKey FVSCXMNVWQIEAW-UHFFFAOYSA-N
Mol Weight 568.37 g/mol
Molecular Formula C19H23F15O2
Exact Mass 568.145852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwTZLn6LzRI
Name Pentadecafluorooctanoic acid, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 568.145852424 u
Formula C19H23F15O2
InChI InChI=1S/C19H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-36-12(35)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-11H2,1H3
InChIKey FVSCXMNVWQIEAW-UHFFFAOYSA-N
Molecular Weight 568.367 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F