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N,N-BIS[2,6-BIS(TRIFLUOROMETHYL)-2,6-BIS(DIFLUOROCHLOROMETHYL)-2,3-DIHYDRO-1,3,5-OXADIAZIN-4-YL]AMINE DIMETHYLSULPHOXIDE ADDUCT

View entire compound with spectra: 1 NMR

N,N-BIS[2,6-BIS(TRIFLUOROMETHYL)-2,6-BIS(DIFLUOROCHLOROMETHYL)-2,3-DIHYDRO-1,3,5-OXADIAZIN-4-YL]AMINE DIMETHYLSULPHOXIDE ADDUCT
SpectraBase Compound ID 7Ja0O6nyZDL
InChI InChI=1S/C16H9Cl4F20N5O3S/c1-49(2)48-50-45(3-41-5(9(17,21)22,13(29,30)31)46-6(42-3,10(18,23)24)14(32,33)34)4-43-7(11(19,25)26,15(35,36)37)47-8(44-4,12(20,27)28)16(38,39)40/h1-2H3,(H,41,42)(H,43,44)
InChIKey TZMRPBWZXDQUPV-UHFFFAOYSA-N
Mol Weight 874.1 g/mol
Molecular Formula C16H10Cl4F20N5O3S
Exact Mass 871.893909 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xb37v9s3bM
Name N,N-BIS[2,6-BIS(TRIFLUOROMETHYL)-2,6-BIS(DIFLUOROCHLOROMETHYL)-2,3-DIHYDRO-1,3,5-OXADIAZIN-4-YL]AMINE DIMETHYLSULPHOXIDE ADDUCT
Comments SCALE INVERTED;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H10Cl4F20N5O3S
InChI InChI=1S/C16H9Cl4F20N5O3S/c1-49(2)48-50-45(3-41-5(9(17,21)22,13(29,30)31)46-6(42-3,10(18,23)24)14(32,33)34)4-43-7(11(19,25)26,15(35,36)37)47-8(44-4,12(20,27)28)16(38,39)40/h1-2H3,(H,41,42)(H,43,44)
InChIKey TZMRPBWZXDQUPV-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference A.V.DAVYDOV, I.N.TORGUN, I.L.KNUNYANTS (1980) Zhurn.Obsch.Khim.(Russ. Lang.):v.50, N4, 936-940.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone