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2,2-DIMETHYL-3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-METHYLESTER,ISOMER-#A
SpectraBase Compound ID KBtiRYwkaNF
InChI InChI=1S/C10H20O3S/c1-6-7(14-5)8(11)10(2,3)9(12)13-4/h7-8,11H,6H2,1-5H3/t7-,8+/m0/s1
InChIKey VIDWVRCZVAXPQL-JGVFFNPUSA-N
Mol Weight 220.33 g/mol
Molecular Formula C10H20O3S
Exact Mass 220.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPVPwUECs9X
Name 2,2-DIMETHYL-3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-METHYLESTER,ISOMER-#A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H20O3S
InChI InChI=1S/C10H20O3S/c1-6-7(14-5)8(11)10(2,3)9(12)13-4/h7-8,11H,6H2,1-5H3/t7-,8+/m0/s1
InChIKey VIDWVRCZVAXPQL-JGVFFNPUSA-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 220.327 g/mol
Solvent CDCl3
Source File Reference UWCS2071