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METHYL-(5-S,6-R)-5-HYDROXY-6-METHYL-8-PHENYLOCTA-2-(E),7-(E)-DIENOATE
SpectraBase Compound ID BQ4FX7th9AE
InChI InChI=1S/C16H20O3/c1-13(11-12-14-7-4-3-5-8-14)15(17)9-6-10-16(18)19-2/h3-8,10-13,15,17H,9H2,1-2H3/b10-6+,12-11+/t13-,15+/m1/s1
InChIKey SCJFIUAOIKJLDQ-ZQSGSXESSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mZsA0dfOUr
Name METHYL-(5-S,6-R)-5-HYDROXY-6-METHYL-8-PHENYLOCTA-2-(E),7-(E)-DIENOATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-13(11-12-14-7-4-3-5-8-14)15(17)9-6-10-16(18)19-2/h3-8,10-13,15,17H,9H2,1-2H3/b10-6+,12-11+/t13-,15+/m1/s1
InChIKey SCJFIUAOIKJLDQ-ZQSGSXESSA-N
Literature Reference Author J.LIANG,D.W.HOARD,V.V.KHAU,M.J.MARTINELLI,E.D.MOHER,R.E.MOOR E,M.A.TIUS
Literature Reference Citation J.ORG.CHEM.,64,1459(1999)
Literature Reference DOI 10.1021/jo9815958
Molecular Weight 260.333 g/mol
Sample ID 39452
Solvent CDCl3