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methanesulfonic acid (5-isopropyl-3,6-diketo-2-methyl-1-cyclohexa-1,4-dienyl) ester
SpectraBase Compound ID 7lCZ7CRuNwP
InChI InChI=1S/C11H14O5S/c1-6(2)8-5-9(12)7(3)11(10(8)13)16-17(4,14)15/h5-6H,1-4H3
InChIKey QMIRUVVAYQHOJY-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C11H14O5S
Exact Mass 258.056195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9AqOPZfbqJY
Name methanesulfonic acid (5-isopropyl-3,6-diketo-2-methyl-1-cyclohexa-1,4-dienyl) ester
Compound Number 19
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14O5S
InChI InChI=1S/C11H14O5S/c1-6(2)8-5-9(12)7(3)11(10(8)13)16-17(4,14)15/h5-6H,1-4H3
InChIKey QMIRUVVAYQHOJY-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 258.289 g/mol
Solvent DMSO-D6
Source File Reference UWBS1511