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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuaO6WskDqo
Name Ethyl 5,5,6,6,6-pentafluoro-4-hydroxyhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 250.165 g/mol
SMILES OC(CCC(=O)OCC)C(C(F)(F)F)(F)F
SPLASH splash10-0a4i-0090000000-d47fa1e536f1d2b2c884
Source of Spectrum U1-2002-1900-0
Synonyms 5,5,6,6,6-pentafluoro-4-hydroxyhexanoic acid ethyl ester Ethyl 5,5,6,6,6-pentafluoro-4-hydroxy-hexanoate Ethyl 5,5,6,6,6-pentakis(fluoranyl)-4-oxidanyl-hexanoate
Wiley ID 1522635