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3-METHYL-5-NITRO-4H-THIENO-[3,4-E]-1,2,4-THIADIAZINE-1,1-DIOXIDE
SpectraBase Compound ID 7vPUbz8SPmS
InChI InChI=1S/C6H5N3O4S2/c1-3-7-5-4(15(12,13)8-3)2-14-6(5)9(10)11/h2H,1H3,(H,7,8)
InChIKey DAGBVXVDGWDMFS-UHFFFAOYSA-N
Mol Weight 247.24 g/mol
Molecular Formula C6H5N3O4S2
Exact Mass 246.972148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGoCflKJrfA
Name 3-METHYL-5-NITRO-4H-THIENO-[3,4-E]-1,2,4-THIADIAZINE-1,1-DIOXIDE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N3O4S2
InChI InChI=1S/C6H5N3O4S2/c1-3-7-5-4(15(12,13)8-3)2-14-6(5)9(10)11/h2H,1H3,(H,7,8)
InChIKey DAGBVXVDGWDMFS-UHFFFAOYSA-N
Literature Reference Author S.VEGA,M.E.ARRANZ
Literature Reference Citation J.HETCYCL.CHEM.,41,45(2004)
Literature Reference DOI 10.1002/jhet.5570410107
Molecular Weight 247.243 g/mol
Solvent DMSO-D6
Source File Reference UWLU22116