John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=I294h0MuZIx SpectraBase Spectrum ID=8kDza3JLfdM

(accessed ).
methanesulfonic acid (2-isopropyl-3,6-diketo-5-methyl-1-cyclohexa-1,4-dienyl) ester
SpectraBase Compound ID I294h0MuZIx
InChI InChI=1S/C11H14O5S/c1-6(2)9-8(12)5-7(3)10(13)11(9)16-17(4,14)15/h5-6H,1-4H3
InChIKey RQTBXCNNEAWXOA-UHFFFAOYSA-N
Mol Weight 258.29 g/mol
Molecular Formula C11H14O5S
Exact Mass 258.056196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kDza3JLfdM
Name methanesulfonic acid (2-isopropyl-3,6-diketo-5-methyl-1-cyclohexa-1,4-dienyl) ester
Compound Number 18
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14O5S
InChI InChI=1S/C11H14O5S/c1-6(2)9-8(12)5-7(3)10(13)11(9)16-17(4,14)15/h5-6H,1-4H3
InChIKey RQTBXCNNEAWXOA-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 UWBS1510
SpectraBase Batch ID DBxHOhn27sw