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2-TRIFLUOROMETHYL-2-TRIFLUOROACETYLAMINO-3-ACETYLSUCCINIC ACID, METHYLESTER (ISOMER MIXTURE)
SpectraBase Compound ID INEqQmAzPEg
InChI InChI=1S/C12H13F6NO6/c1-4-25-7(21)6(5(2)20)10(9(23)24-3,12(16,17)18)19-8(22)11(13,14)15/h6H,4H2,1-3H3,(H,19,22)
InChIKey QEOPLIQALXFLAR-UHFFFAOYSA-N
Mol Weight 381.23 g/mol
Molecular Formula C12H13F6NO6
Exact Mass 381.064706 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ixm2BuxXXj
Name 2-TRIFLUOROMETHYL-2-TRIFLUOROACETYLAMINO-3-ACETYLSUCCINIC ACID, METHYLESTER (ISOMER MIXTURE)
Comments ALL PEAKS WERE ASSIGNED (S.T.). SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13F6NO6
InChI InChI=1S/C12H13F6NO6/c1-4-25-7(21)6(5(2)20)10(9(23)24-3,12(16,17)18)19-8(22)11(13,14)15/h6H,4H2,1-3H3,(H,19,22)
InChIKey QEOPLIQALXFLAR-UHFFFAOYSA-N
Instrument Name Bruker CXP-200
Literature Reference S.N.OSIPOV, V.B.SOKOLOV, A.F.KOLOMIETS, I.V.MARTYNOV, A.V.FOKIN (1987)Izv.Akad.Nauk SSSR(Russ. Lang.): N5, 1185-1188.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6