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3,6-DIHYDROXY-3-TRIFLUOROMETHYL-5-(ALPHA-HYDROXY-ALPHA-CARBOMETHOXYTRIFLUOROETHYL)-2(3H)-BENZO[B]FURANONE
SpectraBase Compound ID IT6ppZv6hB5
InChI InChI=1S/C13H8F6O7/c1-25-8(21)10(23,12(14,15)16)4-2-5-7(3-6(4)20)26-9(22)11(5,24)13(17,18)19/h2-3,20,23-24H,1H3
InChIKey OJVXSZKDYOGQHU-UHFFFAOYSA-N
Mol Weight 390.19 g/mol
Molecular Formula C13H8F6O7
Exact Mass 390.017422 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDO7igP96ji
Name 3,6-DIHYDROXY-3-TRIFLUOROMETHYL-5-(ALPHA-HYDROXY-ALPHA-CARBOMETHOXYTRIFLUOROETHYL)-2(3H)-BENZO[B]FURANONE
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H8F6O7
InChI InChI=1S/C13H8F6O7/c1-25-8(21)10(23,12(14,15)16)4-2-5-7(3-6(4)20)26-9(22)11(5,24)13(17,18)19/h2-3,20,23-24H,1H3
InChIKey OJVXSZKDYOGQHU-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, A.F.KOLOMIETS, A.V.FOKIN (1987) Izv.Akad.Nauk SSSR(Russ. Lang.):N11, 2511-2517.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo