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2,2-DIMETHYL-3-HYDROXY-4-(PHENYLTHIO)-5-PHENYLPENTANOIC-ACID-METHYLESTER,ISOMER-#B
SpectraBase Compound ID 9aAGwM88DCT
InChI InChI=1S/C20H24O3S/c1-20(2,19(22)23-3)18(21)17(14-15-10-6-4-7-11-15)24-16-12-8-5-9-13-16/h4-13,17-18,21H,14H2,1-3H3/t17-,18-/m0/s1
InChIKey CWFYQLMQELHQLF-ROUUACIJSA-N
Mol Weight 344.47 g/mol
Molecular Formula C20H24O3S
Exact Mass 344.144616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bbehD9Vslc
Name 2,2-DIMETHYL-3-HYDROXY-4-(PHENYLTHIO)-5-PHENYLPENTANOIC-ACID-METHYLESTER,ISOMER-#B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24O3S
InChI InChI=1S/C20H24O3S/c1-20(2,19(22)23-3)18(21)17(14-15-10-6-4-7-11-15)24-16-12-8-5-9-13-16/h4-13,17-18,21H,14H2,1-3H3/t17-,18-/m0/s1
InChIKey CWFYQLMQELHQLF-ROUUACIJSA-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 344.469 g/mol
Solvent CDCl3
Source File Reference UWCS2082