John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LuIR0xx3A7Y SpectraBase Spectrum ID=10TQI3funjw

(accessed ).
5-[(4-METHYLPHENYL)-SULFONYLMETHYL]-[1,3,4]-OXADIAZOLE-2-THIOL
SpectraBase Compound ID LuIR0xx3A7Y
InChI InChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(13,14)6-9-11-12-10(16)15-9/h2-5H,6H2,1H3,(H,12,16)
InChIKey XEZYEUHZXQWABQ-UHFFFAOYSA-N
Mol Weight 270.32 g/mol
Molecular Formula C10H10N2O3S2
Exact Mass 270.013286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10TQI3funjw
Name 5-[(4-METHYLPHENYL)-SULFONYLMETHYL]-[1,3,4]-OXADIAZOLE-2-THIOL
Compound Number 13B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N2O3S2
InChI InChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(13,14)6-9-11-12-10(16)15-9/h2-5H,6H2,1H3,(H,12,16)
InChIKey XEZYEUHZXQWABQ-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 270.321 g/mol
Sample ID 42338
Solvent CDCl3
SpectraBase Batch ID LF0Nvlgc3LO