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1-methyl-3-(4-methylphenyl)sulfonyl-3-pyrrolin-2-one

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1-methyl-3-(4-methylphenyl)sulfonyl-3-pyrrolin-2-one
SpectraBase Compound ID L2qg0bNQzJN
InChI InChI=1S/C12H13NO3S/c1-9-3-5-10(6-4-9)17(15,16)11-7-8-13(2)12(11)14/h3-7H,8H2,1-2H3
InChIKey DVDGXSYPQFJTMS-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JaCZlVAdu6
Name 1-methyl-3-(4-methylphenyl)sulfonyl-3-pyrrolin-2-one
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-9-3-5-10(6-4-9)17(15,16)11-7-8-13(2)12(11)14/h3-7H,8H2,1-2H3
InChIKey DVDGXSYPQFJTMS-UHFFFAOYSA-N
Literature Reference Author B.L.WILLIAMSON,R.R.TYKWINSKI,P.J.STANG
Literature Reference Citation J.AM.CHEM.SOC.,116,93(1994)
Literature Reference DOI 10.1021/ja00080a011
Molecular Weight 251.300 g/mol
Solvent CD3CN