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Heptadecafluorononanoic acid, nonyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, nonyl ester
SpectraBase Compound ID BxsjYMs7v3I
InChI InChI=1S/C18H19F17O2/c1-2-3-4-5-6-7-8-9-37-10(36)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-9H2,1H3
InChIKey ONIZYGSRFPNRPP-UHFFFAOYSA-N
Mol Weight 590.32 g/mol
Molecular Formula C18H19F17O2
Exact Mass 590.111359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Z4rpjsmHju
Name Heptadecafluorononanoic acid, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 590.111358621 u
Formula C18H19F17O2
InChI InChI=1S/C18H19F17O2/c1-2-3-4-5-6-7-8-9-37-10(36)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-9H2,1H3
InChIKey ONIZYGSRFPNRPP-UHFFFAOYSA-N
Molecular Weight 590.321 g/mol
SMILES C(C(C(C(C(OCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F