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1,1,1,2,2-PENTAFLUORO-3,5-DIOXOHEXANE, HYDRATE
SpectraBase Compound ID CTgIg0yntOp
InChI InChI=1S/C6H7F5O3/c1-3(12)2-4(13,14)5(7,8)6(9,10)11/h13-14H,2H2,1H3
InChIKey SSJJSEAGBLCSQK-UHFFFAOYSA-N
Mol Weight 222.11 g/mol
Molecular Formula C6H7F5O3
Exact Mass 222.031535 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cd6x5qIj6p
Name 1,1,1,2,2-PENTAFLUORO-3,5-DIOXOHEXANE, HYDRATE
Comments C=1M. THERE IS 10.7% OF GEM-DIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7F5O3
InChI InChI=1S/C6H7F5O3/c1-3(12)2-4(13,14)5(7,8)6(9,10)11/h13-14H,2H2,1H3
InChIKey SSJJSEAGBLCSQK-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference K.I.PASHKEVICH, A.N.FOMIN, V.I.SALOUTIN, D.V.BAZHENOV, YU.K.GRISHIN (1982)Izv.Akad.Nauk SSSR(Russ. Lang.): N6, 1359-1367.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6