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5-ACETYLAMINO-3-(4-CHLOROBENZYLTHIO)-1H-1,2,4-TRIAZOLE

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5-ACETYLAMINO-3-(4-CHLOROBENZYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 8mA4acP9oMS
InChI InChI=1S/C11H11ClN4OS/c1-7(17)13-10-14-11(16-15-10)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16,17)
InChIKey DZMPPBXUUGHKDE-UHFFFAOYSA-N
Mol Weight 282.75 g/mol
Molecular Formula C11H11ClN4OS
Exact Mass 282.03421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBdP8Pa6fAo
Name 5-ACETYLAMINO-3-(4-CHLOROBENZYLTHIO)-1H-1,2,4-TRIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11ClN4OS
InChI InChI=1S/C11H11ClN4OS/c1-7(17)13-10-14-11(16-15-10)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16,17)
InChIKey DZMPPBXUUGHKDE-UHFFFAOYSA-N
Literature Reference Author J.REITER,L.PONGO,P.DVORTSAK
Literature Reference Citation J.HETCYCL.CHEM.,24,127(1987)
Literature Reference DOI 10.1002/jhet.5570240126
Molecular Weight 282.748 g/mol
Solvent DMSO-D6
Source File Reference UWCS7841