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6-METHYL-4-(N-CHLOROACETAMIDO)-3(2H)-THIOXO-5(4H)-OXO-1,2,4-TRIAZINE
SpectraBase Compound ID 4BM1EZTsXOI
InChI InChI=1S/C6H7ClN4O2S/c1-3-5(13)11(6(14)9-8-3)10-4(12)2-7/h2H2,1H3,(H,9,14)(H,10,12)
InChIKey MMQOLEASOYWSIZ-UHFFFAOYSA-N
Mol Weight 234.66 g/mol
Molecular Formula C6H7ClN4O2S
Exact Mass 233.997824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmtsJfDdFCB
Name 6-METHYL-4-(N-CHLOROACETAMIDO)-3(2H)-THIOXO-5(4H)-OXO-1,2,4-TRIAZINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7ClN4O2S
InChI InChI=1S/C6H7ClN4O2S/c1-3-5(13)11(6(14)9-8-3)10-4(12)2-7/h2H2,1H3,(H,9,14)(H,10,12)
InChIKey MMQOLEASOYWSIZ-UHFFFAOYSA-N
Literature Reference Author A.A.EL-BARBARY,M.A.SAKRAN,A.M.EL-MADANI,C.NIELSEN
Literature Reference Citation J.HETCYCL.CHEM.,42,935(2005)
Literature Reference DOI 10.1002/jhet.5570420528
Molecular Weight 234.660 g/mol
Sample ID 60978
Solvent DMSO-D6