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5-[(4-METHYLPHENYL)-METHANESULFONYLMETHYL]-[1,3,4]-OXADIAZOLE-2-THIOL
SpectraBase Compound ID B0enOR4pT5T
InChI InChI=1S/C11H12N2O3S2/c1-8-2-4-9(5-3-8)6-18(14,15)7-10-12-13-11(17)16-10/h2-5H,6-7H2,1H3,(H,13,17)
InChIKey ZNUKYYKZJYCDPZ-UHFFFAOYSA-N
Mol Weight 284.35 g/mol
Molecular Formula C11H12N2O3S2
Exact Mass 284.028935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhzCyKkNa7k
Name 5-[(4-METHYLPHENYL)-METHANESULFONYLMETHYL]-[1,3,4]-OXADIAZOLE-2-THIOL
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2O3S2
InChI InChI=1S/C11H12N2O3S2/c1-8-2-4-9(5-3-8)6-18(14,15)7-10-12-13-11(17)16-10/h2-5H,6-7H2,1H3,(H,13,17)
InChIKey ZNUKYYKZJYCDPZ-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 284.348 g/mol
Sample ID 42341
Solvent CDCl3