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5-[(4-METHYLPHENYL)-METHANESULFONYLMETHYL]-[1,3,4]-THIADIAZOLE-2-THIOL
SpectraBase Compound ID G8fWW8YDCuu
InChI InChI=1S/C11H12N2O2S3/c1-8-2-4-9(5-3-8)6-18(14,15)7-10-12-13-11(16)17-10/h2-5H,6-7H2,1H3,(H,13,16)
InChIKey PIYRFAFLTGTQGW-UHFFFAOYSA-N
Mol Weight 300.41 g/mol
Molecular Formula C11H12N2O2S3
Exact Mass 300.006091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlC1Er8yLBQ
Name 5-[(4-METHYLPHENYL)-METHANESULFONYLMETHYL]-[1,3,4]-THIADIAZOLE-2-THIOL
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2O2S3
InChI InChI=1S/C11H12N2O2S3/c1-8-2-4-9(5-3-8)6-18(14,15)7-10-12-13-11(16)17-10/h2-5H,6-7H2,1H3,(H,13,16)
InChIKey PIYRFAFLTGTQGW-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 300.408 g/mol
Sample ID 42329
Solvent CDCl3