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5-AMINO-3-METHYLTHIO-2-(3,4-DIMETHOXY-6-NITROPHENYL)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID CehwJn2jGjD
InChI InChI=1S/C11H13N5O4S/c1-19-8-4-6(7(16(17)18)5-9(8)20-2)15-11(21-3)13-10(12)14-15/h4-5H,1-3H3,(H2,12,14)
InChIKey YFKRKCSXZXZQIT-UHFFFAOYSA-N
Mol Weight 311.32 g/mol
Molecular Formula C11H13N5O4S
Exact Mass 311.068825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ARV3rNyx2y
Name 5-AMINO-3-METHYLTHIO-2-(3,4-DIMETHOXY-6-NITROPHENYL)-2H-1,2,4-TRIAZOLE
Compound Number 9/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13N5O4S
InChI InChI=1S/C11H13N5O4S/c1-19-8-4-6(7(16(17)18)5-9(8)20-2)15-11(21-3)13-10(12)14-15/h4-5H,1-3H3,(H2,12,14)
InChIKey YFKRKCSXZXZQIT-UHFFFAOYSA-N
Literature Reference Author P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,32,1359(1995)
Literature Reference DOI 10.1002/jhet.5570320443
Molecular Weight 311.315 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3035