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4-AMINO-5-[(4-CHLOROPHENYL)-METHANESULFONYLMETHYL]-4H-[1,2,4]-TRIAZOLE-3-THIOL
SpectraBase Compound ID 1LK9IuBQsm6
InChI InChI=1S/C10H11ClN4O2S2/c11-8-3-1-7(2-4-8)5-19(16,17)6-9-13-14-10(18)15(9)12/h1-4H,5-6,12H2,(H,14,18)
InChIKey NGLXCVWRDOAJAR-UHFFFAOYSA-N
Mol Weight 318.8 g/mol
Molecular Formula C10H11ClN4O2S2
Exact Mass 318.001196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YrOhrjwuqQ
Name 4-AMINO-5-[(4-CHLOROPHENYL)-METHANESULFONYLMETHYL]-4H-[1,2,4]-TRIAZOLE-3-THIOL
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11ClN4O2S2
InChI InChI=1S/C10H11ClN4O2S2/c11-8-3-1-7(2-4-8)5-19(16,17)6-9-13-14-10(18)15(9)12/h1-4H,5-6,12H2,(H,14,18)
InChIKey NGLXCVWRDOAJAR-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,P.THRIVENI,B.J.M.REDDY,A.PADMAJA
Literature Reference Citation J.HETCYCL.CHEM.,42,113(2005)
Literature Reference DOI 10.1002/jhet.5570420116
Molecular Weight 318.796 g/mol
Sample ID 42336
Solvent CDCl3