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METHYL-6-(4-[11-(4-[4-(METHOXYCARBONYLBUTYL)-PHENYL]-UNDECYL)-PHENYL]-HEXANOATE
SpectraBase Compound ID HdwscNqKJMC
InChI InChI=1S/C36H54O4/c1-39-35(37)21-14-10-13-19-33-25-23-31(24-26-33)17-11-8-6-4-3-5-7-9-12-18-32-27-29-34(30-28-32)20-15-16-22-36(38)40-2/h23-30H,3-22H2,1-2H3
InChIKey OQEBLUICMKBBNK-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C36H54O4
Exact Mass 550.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IhaVwxa9e3
Name METHYL-6-(4-[11-(4-[4-(METHOXYCARBONYLBUTYL)-PHENYL]-UNDECYL)-PHENYL]-HEXANOATE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O4
InChI InChI=1S/C36H54O4/c1-39-35(37)21-14-10-13-19-33-25-23-31(24-26-33)17-11-8-6-4-3-5-7-9-12-18-32-27-29-34(30-28-32)20-15-16-22-36(38)40-2/h23-30H,3-22H2,1-2H3
InChIKey OQEBLUICMKBBNK-UHFFFAOYSA-N
Literature Reference Author M.MASCAL,J.L.KERDELHUE,A.S.BATSANOV,M.J.BEGLEY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1141(1996)
Literature Reference DOI 10.1039/p19960001141
Molecular Weight 550.822 g/mol
Solvent CDCl3
Source File Reference UWCS20756