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N(1)-(4,4-DIOXO-DELTA(2)-1,4,3-DITHIAZOLIN-2-YL)-N(2)-(PARA-TOLYL)-ISOBUTYRAMIDINE
SpectraBase Compound ID 3tes9qwza4T
InChI InChI=1S/C13H17N3O2S2/c1-9(2)12(14-11-6-4-10(3)5-7-11)15-13-16-20(17,18)8-19-13/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKey IFGYBKAOAVWOED-UHFFFAOYSA-N
Mol Weight 311.42 g/mol
Molecular Formula C13H17N3O2S2
Exact Mass 311.076219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuP60U8sX8
Name N(1)-(4,4-DIOXO-DELTA(2)-1,4,3-DITHIAZOLIN-2-YL)-N(2)-(PARA-TOLYL)-ISOBUTYRAMIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17N3O2S2
InChI InChI=1S/C13H17N3O2S2/c1-9(2)12(14-11-6-4-10(3)5-7-11)15-13-16-20(17,18)8-19-13/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKey IFGYBKAOAVWOED-UHFFFAOYSA-N
Literature Reference Author G.L'ABBE,G.VERMEULEN,S.TOPPET,G.S.D.KING,J.AERTS,L.SENGIER
Literature Reference Citation J.HETCYCL.CHEM.,18,1309(1981)
Literature Reference DOI 10.1002/jhet.5570180708
Molecular Weight 311.417 g/mol
Solvent CDCl3
Source File Reference UWED7426