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methanesulfonic acid [5-(1,5-dimethylhex-4-enyl)-3,6-diketo-2-methyl-1-cyclohexa-1,4-dienyl] ester
SpectraBase Compound ID AF7T2zdALJ3
InChI InChI=1S/C16H22O5S/c1-10(2)7-6-8-11(3)13-9-14(17)12(4)16(15(13)18)21-22(5,19)20/h7,9,11H,6,8H2,1-5H3
InChIKey SGRLZPAUFRKKGU-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C16H22O5S
Exact Mass 326.118795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DijttxEu5wB
Name methanesulfonic acid [5-(1,5-dimethylhex-4-enyl)-3,6-diketo-2-methyl-1-cyclohexa-1,4-dienyl] ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O5S
InChI InChI=1S/C16H22O5S/c1-10(2)7-6-8-11(3)13-9-14(17)12(4)16(15(13)18)21-22(5,19)20/h7,9,11H,6,8H2,1-5H3
InChIKey SGRLZPAUFRKKGU-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 326.408 g/mol
Solvent DMSO-D6
Source File Reference UWBS1505