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1,3-DIHYDRO-2-THIOXO-4-(N(1)-TOSYL)-AMIDINO-2H-IMIDAZOLE-5-CARBOXAMIDE
SpectraBase Compound ID JzINr8Q6qHG
InChI InChI=1S/C12H13N5O3S2/c1-6-2-4-7(5-3-6)22(19,20)17-10(13)8-9(11(14)18)16-12(21)15-8/h2-5H,1H3,(H2,13,17)(H2,14,18)(H2,15,16,21)
InChIKey VTJHKXFNBSNNJO-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C12H13N5O3S2
Exact Mass 339.045982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6wBz8WnkTr
Name 1,3-DIHYDRO-2-THIOXO-4-(N(1)-TOSYL)-AMIDINO-2H-IMIDAZOLE-5-CARBOXAMIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N5O3S2
InChI InChI=1S/C12H13N5O3S2/c1-6-2-4-7(5-3-6)22(19,20)17-10(13)8-9(11(14)18)16-12(21)15-8/h2-5H,1H3,(H2,13,17)(H2,14,18)(H2,15,16,21)
InChIKey VTJHKXFNBSNNJO-UHFFFAOYSA-N
Literature Reference Author A.S.S.HAMAD,H.A.Y.DERBALA
Literature Reference Citation J.HETCYCL.CHEM.,38,939(2001)
Literature Reference DOI 10.1002/jhet.5570380420
Molecular Weight 339.387 g/mol
Solvent DMSO-D6
Source File Reference UWLU21393