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4,6-DIMETHOXY-5,5-DIMETHYL-7-(PARA-TOLYLTHIO)-HEPT-1-ENE
SpectraBase Compound ID Ihu1O1A93ml
InChI InChI=1S/2C18H28O2S/c2*1-7-8-16(19-5)18(3,4)17(20-6)13-21-15-11-9-14(2)10-12-15/h2*7,9-12,16-17H,1,8,13H2,2-6H3/t2*16-,17?/m00/s1
InChIKey IRQZYUILRICTSG-KKJDXMKOSA-N
Mol Weight 616.96 g/mol
Molecular Formula C36H56O4S2
Exact Mass 616.362003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3j5YWOHSig2
Name 4,6-DIMETHOXY-5,5-DIMETHYL-7-(PARA-TOLYLTHIO)-HEPT-1-ENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O4S2
InChI InChI=1S/2C18H28O2S/c2*1-7-8-16(19-5)18(3,4)17(20-6)13-21-15-11-9-14(2)10-12-15/h2*7,9-12,16-17H,1,8,13H2,2-6H3/t2*16-,17?/m00/s1
InChIKey IRQZYUILRICTSG-KKJDXMKOSA-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 616.958 g/mol
Solvent CDCl3
Source File Reference UWMS23706