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Heptadecafluorononanoic acid, decyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, decyl ester
SpectraBase Compound ID A1ixiQ2VyBL
InChI InChI=1S/C19H21F17O2/c1-2-3-4-5-6-7-8-9-10-38-11(37)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-10H2,1H3
InChIKey SPHXQNUSFGHDTF-UHFFFAOYSA-N
Mol Weight 604.35 g/mol
Molecular Formula C19H21F17O2
Exact Mass 604.127009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kI8Xj9HuQE
Name Heptadecafluorononanoic acid, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 604.127008685 u
Formula C19H21F17O2
InChI InChI=1S/C19H21F17O2/c1-2-3-4-5-6-7-8-9-10-38-11(37)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-10H2,1H3
InChIKey SPHXQNUSFGHDTF-UHFFFAOYSA-N
Molecular Weight 604.348 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F