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(5-S)-5-(4-METHOXYPHENYL)-2',2',7-TRIMETHYL-2,3,3A,4,5,6-HEXAHYDROSPIRO-[1-BENZOTHIOPHENE-4,5'-[1.3]-DIOXANE]-4',6'-DIONE_1,1-DIOXIDE
SpectraBase Compound ID HHybxjKv2AV
InChI InChI=1S/C21H24O7S/c1-12-11-16(13-5-7-14(26-4)8-6-13)21(15-9-10-29(24,25)17(12)15)18(22)27-20(2,3)28-19(21)23/h5-8,15-16H,9-11H2,1-4H3/t15?,16-/m0/s1
InChIKey IFJPXCZWELMHML-LYKKTTPLSA-N
Mol Weight 420.48 g/mol
Molecular Formula C21H24O7S
Exact Mass 420.124274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEWQ29klLcD
Name (5-S)-5-(4-METHOXYPHENYL)-2',2',7-TRIMETHYL-2,3,3A,4,5,6-HEXAHYDROSPIRO-[1-BENZOTHIOPHENE-4,5'-[1.3]-DIOXANE]-4',6'-DIONE_1,1-DIOXIDE
Compound Number XXII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O7S
InChI InChI=1S/C21H24O7S/c1-12-11-16(13-5-7-14(26-4)8-6-13)21(15-9-10-29(24,25)17(12)15)18(22)27-20(2,3)28-19(21)23/h5-8,15-16H,9-11H2,1-4H3/t15?,16-/m0/s1
InChIKey IFJPXCZWELMHML-LYKKTTPLSA-N
Literature Reference Author G.N.ANDREEV,E.E.SHULTS,A.A.VOLKOV,M.M.SHAKIROV,I.Y.BAGRYANSK AYA,Y.V.GATILOV,G.A.
Literature Reference Citation RUSS.J.ORG.CHEM.,40,854(2004)
Literature Reference DOI 10.1023/B:RUJO.0000044549.81561.4f
Molecular Weight 420.477 g/mol
Solvent CDCl3
Source File Reference UWMZ16630