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5,5,6,6,6-pentafluoro-4-hydroxy-hexanoic acid ethyl ester

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5,5,6,6,6-pentafluoro-4-hydroxy-hexanoic acid ethyl ester
SpectraBase Compound ID 3CDqJxNsDDk
InChI InChI=1S/C8H11F5O3/c1-2-16-6(15)4-3-5(14)7(9,10)8(11,12)13/h5,14H,2-4H2,1H3
InChIKey AGTBORFUCBBHNB-UHFFFAOYSA-N
Mol Weight 250.17 g/mol
Molecular Formula C8H11F5O3
Exact Mass 250.062835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDNLxEeI9Vt
Name 5,5,6,6,6-pentafluoro-4-hydroxy-hexanoic acid ethyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11F5O3
InChI InChI=1S/C8H11F5O3/c1-2-16-6(15)4-3-5(14)7(9,10)8(11,12)13/h5,14H,2-4H2,1H3
InChIKey AGTBORFUCBBHNB-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 250.166 g/mol
Source File Reference MHKO26788