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Methyl 6-(4-{11-[4-(5-methoxyglutaryl)phenyl]undecyl}phenyl)-6-oxohexanoate
SpectraBase Compound ID IXHVoH7BIpd
InChI InChI=1S/C36H50O6/c1-41-35(39)19-13-12-17-33(37)31-25-21-29(22-26-31)15-10-8-6-4-3-5-7-9-11-16-30-23-27-32(28-24-30)34(38)18-14-20-36(40)42-2/h21-28H,3-20H2,1-2H3
InChIKey QQFXLNFKMFUIRR-UHFFFAOYSA-N
Mol Weight 578.8 g/mol
Molecular Formula C36H50O6
Exact Mass 578.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5b1I1zaQCu
Name METHYL-6-[4-(11-[4-(5-METHOXYGLUTARYL)-PHENYL]-UNDECYL)-PHENYL]-6-OXOHEXANOATE
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H50O6
InChI InChI=1S/C36H50O6/c1-41-35(39)19-13-12-17-33(37)31-25-21-29(22-26-31)15-10-8-6-4-3-5-7-9-11-16-30-23-27-32(28-24-30)34(38)18-14-20-36(40)42-2/h21-28H,3-20H2,1-2H3
InChIKey QQFXLNFKMFUIRR-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 578.789 g/mol
Solvent CDCl3
Source File Reference UWCS20753