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2,2-DIMETHYL-3-HYDROXY-5-(BUTYLTHIO)-5-PHENYLPENTANOIC-ACID-METHYLESTER,ISOMER-#B
SpectraBase Compound ID 1pVzSqJicaR
InChI InChI=1S/C18H28O3S/c1-5-6-12-22-15(14-10-8-7-9-11-14)13-16(19)18(2,3)17(20)21-4/h7-11,15-16,19H,5-6,12-13H2,1-4H3/t15-,16+/m0/s1
InChIKey VZHSHCMNCRAACM-JKSUJKDBSA-N
Mol Weight 324.48 g/mol
Molecular Formula C18H28O3S
Exact Mass 324.175916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FmKdJCbU4M
Name 2,2-DIMETHYL-3-HYDROXY-5-(BUTYLTHIO)-5-PHENYLPENTANOIC-ACID-METHYLESTER,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28O3S
InChI InChI=1S/C18H28O3S/c1-5-6-12-22-15(14-10-8-7-9-11-14)13-16(19)18(2,3)17(20)21-4/h7-11,15-16,19H,5-6,12-13H2,1-4H3/t15-,16+/m0/s1
InChIKey VZHSHCMNCRAACM-JKSUJKDBSA-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 324.479 g/mol
Solvent CDCl3
Source File Reference UWCS2099