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methanesulfonic acid (5-isopropyl-3,6-diketo-2-methyl-4-methylsulfonyloxy-1-cyclohexa-1,4-dienyl) ester
SpectraBase Compound ID 8qEVDvzF0bp
InChI InChI=1S/C12H16O8S2/c1-6(2)8-10(14)11(19-21(4,15)16)7(3)9(13)12(8)20-22(5,17)18/h6H,1-5H3
InChIKey UHBFSYKDBLPPCC-UHFFFAOYSA-N
Mol Weight 352.37 g/mol
Molecular Formula C12H16O8S2
Exact Mass 352.02866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gb8uPrh6AsY
Name methanesulfonic acid (5-isopropyl-3,6-diketo-2-methyl-4-methylsulfonyloxy-1-cyclohexa-1,4-dienyl) ester
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O8S2
InChI InChI=1S/C12H16O8S2/c1-6(2)8-10(14)11(19-21(4,15)16)7(3)9(13)12(8)20-22(5,17)18/h6H,1-5H3
InChIKey UHBFSYKDBLPPCC-UHFFFAOYSA-N
Literature Reference Author E.BURGUENO-TAPIA,P.JOSEPH-NATHAN
Literature Reference Citation MAGN.RES.CHEM.,38,390(2000)
Literature Reference DOI 10.1002/1097-458x(200005)38:5<390::aid-mrc645>3.3.co;2-0
Molecular Weight 352.374 g/mol
Solvent DMSO-D6
Source File Reference UWBS1512