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DIANILINIUM 2-DIFLUOROMETHYLTRIFLUORO-3-OXAGLUTARATE
SpectraBase Compound ID 9mJvJSJAmxV
InChI InChI=1S/2C6H7N.C5H3F5O5/c2*7-6-4-2-1-3-5-6;6-1(7)4(8,2(11)12)15-5(9,10)3(13)14/h2*1-5H,7H2;1H,(H,11,12)(H,13,14)
InChIKey MQOJLXOCDPKZDR-UHFFFAOYSA-N
Mol Weight 424.32 g/mol
Molecular Formula C17H17F5N2O5
Exact Mass 424.105762 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57Hiaq6ttqM
Name DIANILINIUM 2-DIFLUOROMETHYLTRIFLUORO-3-OXAGLUTARATE
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION).;R-10 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17F5N2O5
InChI InChI=1S/2C6H7N.C5H3F5O5/c2*7-6-4-2-1-3-5-6;6-1(7)4(8,2(11)12)15-5(9,10)3(13)14/h2*1-5H,7H2;1H,(H,11,12)(H,13,14)
InChIKey MQOJLXOCDPKZDR-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference JAMES BURDON, PAUL L. COE, J.ANTHONY SMITH, JOHN COLIN TATLOW (1991)J.Fluor.Chem.: v.52, N2, 165-184.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo