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Heptadecafluorononanoic acid, octyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, octyl ester
SpectraBase Compound ID JNZSoiFw19c
InChI InChI=1S/C17H17F17O2/c1-2-3-4-5-6-7-8-36-9(35)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-8H2,1H3
InChIKey MVFZHZANFQYMQM-UHFFFAOYSA-N
Mol Weight 576.29 g/mol
Molecular Formula C17H17F17O2
Exact Mass 576.095709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ke5SmcjNY5A
Name Heptadecafluorononanoic acid, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.095708556 u
Formula C17H17F17O2
InChI InChI=1S/C17H17F17O2/c1-2-3-4-5-6-7-8-36-9(35)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-8H2,1H3
InChIKey MVFZHZANFQYMQM-UHFFFAOYSA-N
Molecular Weight 576.294 g/mol
SMILES C(C(C(C(C(OCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F