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Heptadecafluorononanoic acid, undecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, undecyl ester
SpectraBase Compound ID CGEK58GAro3
InChI InChI=1S/C20H23F17O2/c1-2-3-4-5-6-7-8-9-10-11-39-12(38)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h2-11H2,1H3
InChIKey QQKHMPLDRNTDGE-UHFFFAOYSA-N
Mol Weight 618.37 g/mol
Molecular Formula C20H23F17O2
Exact Mass 618.142659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEQpGMk5lQt
Name Heptadecafluorononanoic acid, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 618.142658750 u
Formula C20H23F17O2
InChI InChI=1S/C20H23F17O2/c1-2-3-4-5-6-7-8-9-10-11-39-12(38)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h2-11H2,1H3
InChIKey QQKHMPLDRNTDGE-UHFFFAOYSA-N
Molecular Weight 618.375 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F