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METHYL-(1R*,4R*,6R*)-8-OXO-4-(3-OXOBUTYL)-2-THIABICYCLO-[2.2.2]-OCTANE-6-CARBOXYLATE
SpectraBase Compound ID CjXUMztO6jE
InChI InChI=1S/C13H18O4S/c1-8(14)3-4-13-6-9(12(16)17-2)10(18-7-13)5-11(13)15/h9-10H,3-7H2,1-2H3/t9-,10+,13-/m1/s1
InChIKey YMKFUKLZHKVFAB-GBIKHYSHSA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg6B4IqActH
Name METHYL-(1R*,4R*,6R*)-8-OXO-4-(3-OXOBUTYL)-2-THIABICYCLO-[2.2.2]-OCTANE-6-CARBOXYLATE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-8(14)3-4-13-6-9(12(16)17-2)10(18-7-13)5-11(13)15/h9-10H,3-7H2,1-2H3/t9-,10+,13-/m1/s1
InChIKey YMKFUKLZHKVFAB-GBIKHYSHSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 270.344 g/mol
Solvent CDCl3
Source File Reference UWCP5023