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3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-1,1-DIMETHYLETHYLESTER,ISOMER-#A
SpectraBase Compound ID 1yNEyQqHYKL
InChI InChI=1S/C11H22O3S/c1-6-9(15-5)8(12)7-10(13)14-11(2,3)4/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKey HOSCZJWFKNFROW-RKDXNWHRSA-N
Mol Weight 234.35 g/mol
Molecular Formula C11H22O3S
Exact Mass 234.128966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eu54yPyVX1
Name 3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-1,1-DIMETHYLETHYLESTER,ISOMER-#A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H22O3S
InChI InChI=1S/C11H22O3S/c1-6-9(15-5)8(12)7-10(13)14-11(2,3)4/h8-9,12H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKey HOSCZJWFKNFROW-RKDXNWHRSA-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 234.354 g/mol
Solvent CDCl3
Source File Reference UWCS2085