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BIS(S-BENZYLTHIURONIUM) 2-DIFLUOROMETHYLTRIFLUORO-3-OXAGLUTARATE
SpectraBase Compound ID E26RNna252L
InChI InChI=1S/2C8H10N2S.C5H3F5O5/c2*9-8(10)11-6-7-4-2-1-3-5-7;6-1(7)4(8,2(11)12)15-5(9,10)3(13)14/h2*1-5H,6H2,(H3,9,10);1H,(H,11,12)(H,13,14)
InChIKey QPSBWSSXLRJCHT-UHFFFAOYSA-N
Mol Weight 570.55 g/mol
Molecular Formula C21H23F5N4O5S2
Exact Mass 570.103003 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88xemOgh5xk
Name BIS(S-BENZYLTHIURONIUM) 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 C21H27F5N4O5S2
InChI InChI=1S/2C8H10N2S.C5H3F5O5/c2*9-8(10)11-6-7-4-2-1-3-5-7;6-1(7)4(8,2(11)12)15-5(9,10)3(13)14/h2*1-5H,6H2,(H3,9,10);1H,(H,11,12)(H,13,14)
InChIKey QPSBWSSXLRJCHT-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