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2,2-DIMETHYL-3-HYDROXY-5-(S-MERCAPTOACETYL)-HEXANOIC-ACID-METHYLESTER,ISOMER-#B
SpectraBase Compound ID HEGYg1qKEbO
InChI InChI=1S/C11H20O4S/c1-7(16-8(2)12)6-9(13)11(3,4)10(14)15-5/h7,9,13H,6H2,1-5H3/t7-,9+/m1/s1
InChIKey CFKMOOFHAYNMBJ-APPZFPTMSA-N
Mol Weight 248.34 g/mol
Molecular Formula C11H20O4S
Exact Mass 248.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47CTCwzuQhh
Name 2,2-DIMETHYL-3-HYDROXY-5-(S-MERCAPTOACETYL)-HEXANOIC-ACID-METHYLESTER,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H20O4S
InChI InChI=1S/C11H20O4S/c1-7(16-8(2)12)6-9(13)11(3,4)10(14)15-5/h7,9,13H,6H2,1-5H3/t7-,9+/m1/s1
InChIKey CFKMOOFHAYNMBJ-APPZFPTMSA-N
Literature Reference Author R.ANNUNZIATA,M.CINQUINI,F.COZZI,P.G.COZZI,E.CONSOLANDI
Literature Reference Citation J.ORG.CHEM.,57,456(1992)
Literature Reference DOI 10.1021/jo00028a015
Molecular Weight 248.337 g/mol
Solvent CDCl3
Source File Reference UWCS2101