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2-(N-ACETYL)-METHYL-AMINO-8-CHLORO-4-METHYL-(4H)-1,3,4-THIADIAZINO-[5,6-B]-QUINOXALINE
SpectraBase Compound ID AVwIhXF4cLF
InChI InChI=1S/C13H12ClN5OS/c1-7(20)18(2)13-17-19(3)11-12(21-13)16-10-6-8(14)4-5-9(10)15-11/h4-6H,1-3H3
InChIKey CCOOXFMJGNXCMM-UHFFFAOYSA-N
Mol Weight 321.79 g/mol
Molecular Formula C13H12ClN5OS
Exact Mass 321.045109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXX1j08pPBU
Name 2-(N-ACETYL)-METHYL-AMINO-8-CHLORO-4-METHYL-(4H)-1,3,4-THIADIAZINO-[5,6-B]-QUINOXALINE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClN5OS
InChI InChI=1S/C13H12ClN5OS/c1-7(20)18(2)13-17-19(3)11-12(21-13)16-10-6-8(14)4-5-9(10)15-11/h4-6H,1-3H3
InChIKey CCOOXFMJGNXCMM-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 321.784 g/mol
Solvent DMSO-D6
Source File Reference UWSW818