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5-AMINO-3-METHYLTHIO-2-(2,3-DICHLORO-6-NITROPHENYL)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID G3RaCFJigbr
InChI InChI=1S/C9H7Cl2N5O2S/c1-19-9-13-8(12)14-15(9)7-5(16(17)18)3-2-4(10)6(7)11/h2-3H,1H3,(H2,12,14)
InChIKey BKRQPXWNGOSXNS-UHFFFAOYSA-N
Mol Weight 320.15 g/mol
Molecular Formula C9H7Cl2N5O2S
Exact Mass 318.969751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5q9ZJ1SBghw
Name 5-AMINO-3-METHYLTHIO-2-(2,3-DICHLORO-6-NITROPHENYL)-2H-1,2,4-TRIAZOLE
Compound Number 9/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7Cl2N5O2S
InChI InChI=1S/C9H7Cl2N5O2S/c1-19-9-13-8(12)14-15(9)7-5(16(17)18)3-2-4(10)6(7)11/h2-3H,1H3,(H2,12,14)
InChIKey BKRQPXWNGOSXNS-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 320.153 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3036