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TRANS-2-(3'-METHOXYPENT-2',5'-DIMETHYLHEX-5'-EN-2'-YL)-3-(PARA-TOLYLTHIO)-TETRAHYDROPYRANE
SpectraBase Compound ID 3wHuoiNx0C1
InChI InChI=1S/2C21H32O2S/c2*1-15(2)14-19(22-6)21(4,5)20-18(8-7-13-23-20)24-17-11-9-16(3)10-12-17/h2*9-12,18-20H,1,7-8,13-14H2,2-6H3/t18-,19+,20-;18-,19-,20-/m11/s1
InChIKey KRGHSEKXZUXUOT-FAHZBCGJSA-N
Mol Weight 697.1 g/mol
Molecular Formula C42H64O4S2
Exact Mass 696.424603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hkJ6DTbPaf
Name TRANS-2-(3'-METHOXYPENT-2',5'-DIMETHYLHEX-5'-EN-2'-YL)-3-(PARA-TOLYLTHIO)-TETRAHYDROPYRANE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O4S2
InChI InChI=1S/2C21H32O2S/c2*1-15(2)14-19(22-6)21(4,5)20-18(8-7-13-23-20)24-17-11-9-16(3)10-12-17/h2*9-12,18-20H,1,7-8,13-14H2,2-6H3/t18-,19+,20-;18-,19-,20-/m11/s1
InChIKey KRGHSEKXZUXUOT-FAHZBCGJSA-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 697.088 g/mol
Solvent CDCl3
Source File Reference UWMS23710