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2-ETHOXYCARBONYLETHYL-(3-METHYLTHIO-1,2,4-TRIAZOL-5-YL)-AMINODITHIOCARBONNATE
SpectraBase Compound ID 2qo6PEFWmpV
InChI InChI=1S/C9H14N4O2S3/c1-3-15-6(14)4-5-18-9(16)11-7-10-8(17-2)13-12-7/h3-5H2,1-2H3,(H2,10,11,12,13,16)
InChIKey FFPPYSJFRBPKLX-UHFFFAOYSA-N
Mol Weight 306.42 g/mol
Molecular Formula C9H14N4O2S3
Exact Mass 306.027889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AiShcYPD1VJ
Name 2-ETHOXYCARBONYLETHYL-(3-METHYLTHIO-1,2,4-TRIAZOL-5-YL)-AMINODITHIOCARBONNATE
Compound Number 3B/8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14N4O2S3
InChI InChI=1S/C9H14N4O2S3/c1-3-15-6(14)4-5-18-9(16)11-7-10-8(17-2)13-12-7/h3-5H2,1-2H3,(H2,10,11,12,13,16)
InChIKey FFPPYSJFRBPKLX-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 306.416 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1082