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2-METHYL-2-[[[(4-METHYL-PHENYL)-SULFONYL]-OXY]-METHYL]-CYCLOHEXANONE-O-(PHENYLMETHYL)-OXIME
SpectraBase Compound ID 6594EU1lY1F
InChI InChI=1S/C22H27NO4S/c1-18-11-13-20(14-12-18)28(24,25)27-17-22(2)15-7-6-10-21(22)23-26-16-19-8-4-3-5-9-19/h3-5,8-9,11-14H,6-7,10,15-17H2,1-2H3/b23-21+
InChIKey DHNWIQGFTLIUJR-XTQSDGFTSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dmLr2dbqgG
Name 2-METHYL-2-[[[(4-METHYL-PHENYL)-SULFONYL]-OXY]-METHYL]-CYCLOHEXANONE-O-(PHENYLMETHYL)-OXIME
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-18-11-13-20(14-12-18)28(24,25)27-17-22(2)15-7-6-10-21(22)23-26-16-19-8-4-3-5-9-19/h3-5,8-9,11-14H,6-7,10,15-17H2,1-2H3/b23-21+
InChIKey DHNWIQGFTLIUJR-XTQSDGFTSA-N
Literature Reference Author P.A.VANELBURG,D.N.REINHOUDT
Literature Reference Citation REC.TR.CH.P.-B.,107,381(1988)
Literature Reference DOI 10.1002/recl.19881070505
Molecular Weight 401.521 g/mol
Solvent CDCl3
Source File Reference UWED5536