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4,6-DIMETHOXY-2,5,5-TRIMETHYL-7-(PARA-TOLYLTHIO)-HEPT-1-ENE
SpectraBase Compound ID 12cPLXgSM9y
InChI InChI=1S/2C19H30O2S/c2*1-14(2)12-17(20-6)19(4,5)18(21-7)13-22-16-10-8-15(3)9-11-16/h2*8-11,17-18H,1,12-13H2,2-7H3/t2*17-,18?/m10/s1
InChIKey SVJUMRMBOSKMDP-NWYSDZHNSA-N
Mol Weight 645.01 g/mol
Molecular Formula C38H60O4S2
Exact Mass 644.393303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqiqMqXNkVW
Name 4,6-DIMETHOXY-2,5,5-TRIMETHYL-7-(PARA-TOLYLTHIO)-HEPT-1-ENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H60O4S2
InChI InChI=1S/2C19H30O2S/c2*1-14(2)12-17(20-6)19(4,5)18(21-7)13-22-16-10-8-15(3)9-11-16/h2*8-11,17-18H,1,12-13H2,2-7H3/t2*17-,18?/m10/s1
InChIKey SVJUMRMBOSKMDP-NWYSDZHNSA-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 645.012 g/mol
Solvent CDCl3
Source File Reference UWMS23707