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4-AMINO-5-[(4-METHYLPHENYL)-SULFONYLMETHYL]-4H-[1,2,4]-TRIAZOLE-3-THIOL
SpectraBase Compound ID 2qnTy3EaCM2
InChI InChI=1S/C10H12N4O2S2/c1-7-2-4-8(5-3-7)18(15,16)6-9-12-13-10(17)14(9)11/h2-5H,6,11H2,1H3,(H,13,17)
InChIKey LYEUFCQWEAEMMT-UHFFFAOYSA-N
Mol Weight 284.35 g/mol
Molecular Formula C10H12N4O2S2
Exact Mass 284.040168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3XWrJ4K5e9
Name 4-AMINO-5-[(4-METHYLPHENYL)-SULFONYLMETHYL]-4H-[1,2,4]-TRIAZOLE-3-THIOL
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12N4O2S2
InChI InChI=1S/C10H12N4O2S2/c1-7-2-4-8(5-3-7)18(15,16)6-9-12-13-10(17)14(9)11/h2-5H,6,11H2,1H3,(H,13,17)
InChIKey LYEUFCQWEAEMMT-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 284.351 g/mol
Sample ID 42332
Solvent CDCl3