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2,2,5-TRIMETHYL-3-HYDROXY-4-(PHENYLTHIO)-HEXANOIC-ACID-METHYLESTER,ISOMER-#B
SpectraBase Compound ID HLZpmvSDF55
InChI InChI=1S/C16H24O3S/c1-5-9-13(20-12-10-7-6-8-11-12)14(17)16(2,3)15(18)19-4/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14-/m1/s1
InChIKey QJFGTSDHVDMTFQ-ZIAGYGMSSA-N
Mol Weight 296.43 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBDGcxH4ull
Name 2,2,5-TRIMETHYL-3-HYDROXY-4-(PHENYLTHIO)-HEXANOIC-ACID-METHYLESTER,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-5-9-13(20-12-10-7-6-8-11-12)14(17)16(2,3)15(18)19-4/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14-/m1/s1
InChIKey QJFGTSDHVDMTFQ-ZIAGYGMSSA-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 296.425 g/mol
Solvent CDCl3
Source File Reference UWCS2080