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2,5-DIMETHYL-3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-S-(1,1-DIMETHYLETHYL)-THIOESTER,ISOMER-#A
SpectraBase Compound ID A3bZytAvtB3
InChI InChI=1S/C13H26O2S2/c1-7-8-10(16-6)11(14)9(2)12(15)17-13(3,4)5/h9-11,14H,7-8H2,1-6H3/t9-,10-,11+/m1/s1
InChIKey FOFNADBCPGEKLC-MXWKQRLJSA-N
Mol Weight 278.47 g/mol
Molecular Formula C13H26O2S2
Exact Mass 278.137422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfVDYUbaL7y
Name 2,5-DIMETHYL-3-HYDROXY-4-(METHYLTHIO)-HEXANOIC-ACID-S-(1,1-DIMETHYLETHYL)-THIOESTER,ISOMER-#A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H26O2S2
InChI InChI=1S/C13H26O2S2/c1-7-8-10(16-6)11(14)9(2)12(15)17-13(3,4)5/h9-11,14H,7-8H2,1-6H3/t9-,10-,11+/m1/s1
InChIKey FOFNADBCPGEKLC-MXWKQRLJSA-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 278.468 g/mol
Solvent CDCl3
Source File Reference UWCS2090