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Heptadecafluorononanoic acid, octadecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, octadecyl ester
SpectraBase Compound ID 8KQQMzoeEqx
InChI InChI=1S/C27H37F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-46-19(45)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h2-18H2,1H3
InChIKey JLIIHGXVUCRQOQ-UHFFFAOYSA-N
Mol Weight 716.6 g/mol
Molecular Formula C27H37F17O2
Exact Mass 716.252209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkbJhpQkATz
Name Heptadecafluorononanoic acid, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 716.252209200 u
Formula C27H37F17O2
InChI InChI=1S/C27H37F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-46-19(45)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h2-18H2,1H3
InChIKey JLIIHGXVUCRQOQ-UHFFFAOYSA-N
Molecular Weight 716.564 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F