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Heptadecafluorononanoic acid, hexadecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, hexadecyl ester
SpectraBase Compound ID DLyPCvB6aAn
InChI InChI=1S/C25H33F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-44-17(43)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h2-16H2,1H3
InChIKey XHSDTKJQIBYBHV-UHFFFAOYSA-N
Mol Weight 688.5 g/mol
Molecular Formula C25H33F17O2
Exact Mass 688.220909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALeRAgjT68o
Name Heptadecafluorononanoic acid, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 688.220909072 u
Formula C25H33F17O2
InChI InChI=1S/C25H33F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-44-17(43)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h2-16H2,1H3
InChIKey XHSDTKJQIBYBHV-UHFFFAOYSA-N
Molecular Weight 688.510 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F