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2,2,4-TRIMETHYL-3-HYDROXY-5-(BUTYLTHIO)-PENTANOIC-ACID-METHYLESTER,ISOMER-#B
SpectraBase Compound ID 2yfXuwBpHq7
InChI InChI=1S/C13H26O3S/c1-6-7-8-17-9-10(2)11(14)13(3,4)12(15)16-5/h10-11,14H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKey NCFQCBJKWYBLKD-GHMZBOCLSA-N
Mol Weight 262.41 g/mol
Molecular Formula C13H26O3S
Exact Mass 262.160266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWIIyU1NopQ
Name 2,2,4-TRIMETHYL-3-HYDROXY-5-(BUTYLTHIO)-PENTANOIC-ACID-METHYLESTER,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H26O3S
InChI InChI=1S/C13H26O3S/c1-6-7-8-17-9-10(2)11(14)13(3,4)12(15)16-5/h10-11,14H,6-9H2,1-5H3/t10-,11-/m1/s1
InChIKey NCFQCBJKWYBLKD-GHMZBOCLSA-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 262.408 g/mol
Solvent CDCl3
Source File Reference UWCS2103