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2-METHYL-3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-S-(1,1-DIMETHYLETHYL)-THIOESTER,ISOMER-#C
SpectraBase Compound ID GrE17EAblSi
InChI InChI=1S/C12H24O2S2/c1-7-9(15-6)10(13)8(2)11(14)16-12(3,4)5/h8-10,13H,7H2,1-6H3/t8-,9+,10-/m1/s1
InChIKey YPFJHQNIIYGEKD-KXUCPTDWSA-N
Mol Weight 264.44 g/mol
Molecular Formula C12H24O2S2
Exact Mass 264.121772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4RA3bPceLLZ
Name 2-METHYL-3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-S-(1,1-DIMETHYLETHYL)-THIOESTER,ISOMER-#C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24O2S2
InChI InChI=1S/C12H24O2S2/c1-7-9(15-6)10(13)8(2)11(14)16-12(3,4)5/h8-10,13H,7H2,1-6H3/t8-,9+,10-/m1/s1
InChIKey YPFJHQNIIYGEKD-KXUCPTDWSA-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 264.441 g/mol
Solvent CDCl3
Source File Reference UWCS2089