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2-METHYL-2-[[[(4-METHYL-PHENYL)-SULFONYL]-OXY]-METHYL]-CYCLOPENTANONE

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2-METHYL-2-[[[(4-METHYL-PHENYL)-SULFONYL]-OXY]-METHYL]-CYCLOPENTANONE
SpectraBase Compound ID Fh7BIO2dxW9
InChI InChI=1S/C21H25NO4S/c1-17-10-12-19(13-11-17)27(23,24)26-16-21(2)14-6-9-20(21)22-25-15-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3/b22-20+
InChIKey ANZWNMGRXDWKLG-LSDHQDQOSA-N
Mol Weight 387.49 g/mol
Molecular Formula C21H25NO4S
Exact Mass 387.150429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ec6vXqWoRr
Name 2-METHYL-2-[[[(4-METHYL-PHENYL)-SULFONYL]-OXY]-METHYL]-CYCLOPENTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO4S
InChI InChI=1S/C21H25NO4S/c1-17-10-12-19(13-11-17)27(23,24)26-16-21(2)14-6-9-20(21)22-25-15-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3/b22-20+
InChIKey ANZWNMGRXDWKLG-LSDHQDQOSA-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 387.494 g/mol
Solvent CDCl3
Source File Reference UWED5534