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3-(PARA-CHLOROPHENYL)-5-(PROP-2-YN-1-SULFANYL)-1H-1,2,4-TRIAZOLE;R1=P-CLC6H4
SpectraBase Compound ID IrUMH7zMzT7
InChI InChI=1S/C11H8ClN3S/c1-2-7-16-11-13-10(14-15-11)8-3-5-9(12)6-4-8/h1,3-6H,7H2,(H,13,14,15)
InChIKey XVSGJGYOBKBXQT-UHFFFAOYSA-N
Mol Weight 249.72 g/mol
Molecular Formula C11H8ClN3S
Exact Mass 249.012746 g/mol
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives Magnetic Resonance in Chemistry 2013

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