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4-AMINO-5-[(4-METHYLPHENYL)-METHANESULFONYLMETHYL]-4H-[1,2,4]-TRIAZOLE-3-THIOL
SpectraBase Compound ID 7UAKKarHwUF
InChI InChI=1S/C11H14N4O2S2/c1-8-2-4-9(5-3-8)6-19(16,17)7-10-13-14-11(18)15(10)12/h2-5H,6-7,12H2,1H3,(H,14,18)
InChIKey PYATWPAHWHOOMI-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C11H14N4O2S2
Exact Mass 298.055818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MXgTzfqkIm
Name 4-AMINO-5-[(4-METHYLPHENYL)-METHANESULFONYLMETHYL]-4H-[1,2,4]-TRIAZOLE-3-THIOL
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N4O2S2
InChI InChI=1S/C11H14N4O2S2/c1-8-2-4-9(5-3-8)6-19(16,17)7-10-13-14-11(18)15(10)12/h2-5H,6-7,12H2,1H3,(H,14,18)
InChIKey PYATWPAHWHOOMI-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 298.378 g/mol
Sample ID 42335
Solvent CDCl3