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1,1,1-TRIFLUORO-2,4-DIOXOPENTANE, HYDRATE
SpectraBase Compound ID 1efvYIJAWDA
InChI InChI=1S/C5H7F3O3/c1-3(9)2-4(10,11)5(6,7)8/h10-11H,2H2,1H3
InChIKey FHRFLPKNVDLWOR-UHFFFAOYSA-N
Mol Weight 172.1 g/mol
Molecular Formula C5H7F3O3
Exact Mass 172.034729 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1N9eewGnmZC
Name 1,1,1-TRIFLUORO-2,4-DIOXOPENTANE, HYDRATE
Comments C=1M. THERE IS 63.2% OF GEM-DIOL.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H7F3O3
InChI InChI=1S/C5H7F3O3/c1-3(9)2-4(10,11)5(6,7)8/h10-11H,2H2,1H3
InChIKey FHRFLPKNVDLWOR-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