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METHYL-(3-METHYLTHIO-1-PHENYL-1-H-1,2,4-TRIAZOL-5-YL)-N-BENZYL-IMINODITHIOCARBONATE
SpectraBase Compound ID E3kpiZ2feoB
InChI InChI=1S/C18H18N4S3/c1-24-16-19-17(22(20-16)15-11-7-4-8-12-15)21(18(23)25-2)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3
InChIKey USXFHCOIDMTEFN-UHFFFAOYSA-N
Mol Weight 386.55 g/mol
Molecular Formula C18H18N4S3
Exact Mass 386.06936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNHi8sCIX4i
Name METHYL-(3-METHYLTHIO-1-PHENYL-1-H-1,2,4-TRIAZOL-5-YL)-N-BENZYL-IMINODITHIOCARBONATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N4S3
InChI InChI=1S/C18H18N4S3/c1-24-16-19-17(22(20-16)15-11-7-4-8-12-15)21(18(23)25-2)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3
InChIKey USXFHCOIDMTEFN-UHFFFAOYSA-N
Literature Reference Author L.PONGO,J.REITER,J.BARKOCZY,P.SOHAR,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,27,1249(1990)
Literature Reference DOI 10.1002/jhet.5570270516
Molecular Weight 386.548 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1086