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Heptadecafluorononanoic acid, butyl ester

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Heptadecafluorononanoic acid, butyl ester
SpectraBase Compound ID 3FqDw16lsre
InChI InChI=1S/C13H9F17O2/c1-2-3-4-32-5(31)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-4H2,1H3
InChIKey FDPTXAYZTQYILM-UHFFFAOYSA-N
Mol Weight 520.19 g/mol
Molecular Formula C13H9F17O2
Exact Mass 520.033108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4b6dCdQyt8J
Name Heptadecafluorononanoic acid, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.033108299 u
Formula C13H9F17O2
InChI InChI=1S/C13H9F17O2/c1-2-3-4-32-5(31)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-4H2,1H3
InChIKey FDPTXAYZTQYILM-UHFFFAOYSA-N
Molecular Weight 520.186 g/mol
SMILES C(C(C(C(F)(F)C(C(C(C(C(OCCCC)=O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F