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Heptadecafluorononanoic acid, isohexyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, isohexyl ester
SpectraBase Compound ID 6QzvXddgE5b
InChI InChI=1S/C15H13F17O2/c1-6(2)4-3-5-34-7(33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6H,3-5H2,1-2H3
InChIKey LSPPKAMVPYAKFJ-UHFFFAOYSA-N
Mol Weight 548.24 g/mol
Molecular Formula C15H13F17O2
Exact Mass 548.064408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1F9LyIuc0su
Name Heptadecafluorononanoic acid, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.064408428 u
Formula C15H13F17O2
InChI InChI=1S/C15H13F17O2/c1-6(2)4-3-5-34-7(33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6H,3-5H2,1-2H3
InChIKey LSPPKAMVPYAKFJ-UHFFFAOYSA-N
Molecular Weight 548.240 g/mol
SMILES C(C(C(C(C(OCCCC(C)C)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F