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2-NTRIFLUOROACETYL-METHYL-AMINO-8-CHLORO-4-METHYL-(4H)-1,3,4-THIADIAZINO-[5,6-B]-QUINOXALINE-1,1-DIOXIDE
SpectraBase Compound ID 48OARrQ8Ax
InChI InChI=1S/C13H9ClF3N5O3S/c1-21(11(23)13(15,16)17)12-20-22(2)9-10(26(12,24)25)19-8-5-6(14)3-4-7(8)18-9/h3-5H,1-2H3
InChIKey MFYRVMUESNDZCT-UHFFFAOYSA-N
Mol Weight 407.76 g/mol
Molecular Formula C13H9ClF3N5O3S
Exact Mass 407.006673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41BdpiTDCzD
Name 2-N-TRIFLUOROACETYL-METHYL-AMINO-8-CHLORO-4-METHYL-(4H)-1,3,4-THIADIAZINO-[5,6-B]-QUINOXALINE-1,1-DIOXIDE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9ClF3N5O3S
InChI InChI=1S/C13H9ClF3N5O3S/c1-21(11(23)13(15,16)17)12-20-22(2)9-10(26(12,24)25)19-8-5-6(14)3-4-7(8)18-9/h3-5H,1-2H3
InChIKey MFYRVMUESNDZCT-UHFFFAOYSA-N
Literature Reference Author H.S.KIM,Y.OKAMOTO,Y.KURASAWA
Literature Reference Citation J.HETCYCL.CHEM.,34,1029(1997)
Literature Reference DOI 10.1002/jhet.5570340349
Molecular Weight 407.754 g/mol
Solvent DMSO-D6
Source File Reference UWSW824