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4,6-DIMETHOXY-4-METHYL-7-(PARA-TOLYLTHIO)-HEPT-1-ENE
SpectraBase Compound ID 3JQqYTo48G
InChI InChI=1S/2C17H26O2S/c2*1-6-11-17(3,19-5)12-15(18-4)13-20-16-9-7-14(2)8-10-16/h2*6-10,15H,1,11-13H2,2-5H3/t2*15?,17-/m00/s1
InChIKey VYBJOTSBNGCVDM-VMWFPPCSSA-N
Mol Weight 588.91 g/mol
Molecular Formula C34H52O4S2
Exact Mass 588.330702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAU5fx92mK9
Name 4,6-DIMETHOXY-4-METHYL-7-(PARA-TOLYLTHIO)-HEPT-1-ENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H52O4S2
InChI InChI=1S/2C17H26O2S/c2*1-6-11-17(3,19-5)12-15(18-4)13-20-16-9-7-14(2)8-10-16/h2*6-10,15H,1,11-13H2,2-5H3/t2*15?,17-/m00/s1
InChIKey VYBJOTSBNGCVDM-VMWFPPCSSA-N
Literature Reference Author D.S.CHEKMAREV,M.I.LAZAREVA,G.V.ZATONSKY,A.V.MASKAEV,R.CAPLE, W.SMIT
Literature Reference Citation J.ORG.CHEM.,67,7957(2002)
Literature Reference DOI 10.1021/jo0261202
Molecular Weight 588.904 g/mol
Solvent CDCl3
Source File Reference UWMS23705