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ALPHA-TRIFLUOROMETHYL-BETA,BETA-DIFLUOROGLYCIDNIC ACID, N,N-DIMETHYLAMIDE (CONFORMER 1)
SpectraBase Compound ID 1Ud9PjA6jMJ
InChI InChI=1S/C6H6F5NO2/c1-12(2)3(13)4(5(7,8)9)6(10,11)14-4/h1-2H3/t4-/m0/s1
InChIKey NBGZNAIIJKRIGS-BYPYZUCNSA-N
Mol Weight 219.11 g/mol
Molecular Formula C6H6F5NO2
Exact Mass 219.031869 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xZ2ReKhOAA
Name ALPHA-TRIFLUOROMETHYL-BETA,BETA-DIFLUOROGLYCIDNIC ACID, N,N-DIMETHYLAMIDE (CONFORMER 1)
Comments C-C SINGLE BOND CONFORMER. SCALE INVERTED;R-32 (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6F5NO2
InChI InChI=1S/C6H6F5NO2/c1-12(2)3(13)4(5(7,8)9)6(10,11)14-4/h1-2H3/t4-/m0/s1
InChIKey NBGZNAIIJKRIGS-BYPYZUCNSA-N
Instrument Name SEE COMMENT
Literature Reference A.A.KADYROV, E.M.ROKHLIN, I.L.KNUNYANTS (1982) Izv.Akad.Nauk SSSR(Russ. Lang.):N10, 2344-2347.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported