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4,4,5,5,6,6,7,7,8,8,8-undecafluorocaprylic acid

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4,4,5,5,6,6,7,7,8,8,8-undecafluorocaprylic acid
SpectraBase Compound ID JiZmyeslWJs
InChI InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)
InChIKey ABFCFCPCGMHSRX-UHFFFAOYSA-N
Mol Weight 342.11 g/mol
Molecular Formula C8H5F11O2
Exact Mass 342.011389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Vma8iOvgNd
Name 4,4,5,5,6,6,7,7,8,8,8-undecafluorocaprylic acid
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5F11O2
InChI InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)
InChIKey ABFCFCPCGMHSRX-UHFFFAOYSA-N
Literature Reference Author A.A.MARCHIONE,R.C.BUCK
Literature Reference Citation MAGN.RES.CHEM.,47,194(2009)
Literature Reference DOI 10.1002/mrc.2376
Molecular Weight 342.109 g/mol
Solvent ACETONE-D6
Source File Reference UWLU79520