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Methyl 6-oxo-6-[4-(11-phenylundecyl)phenyl]hexanoate
SpectraBase Compound ID r4xAfbQ9aT
InChI InChI=1S/C30H42O3/c1-33-30(32)21-15-14-20-29(31)28-24-22-27(23-25-28)19-11-8-6-4-2-3-5-7-10-16-26-17-12-9-13-18-26/h9,12-13,17-18,22-25H,2-8,10-11,14-16,19-21H2,1H3
InChIKey KEOOLAQCZPVKLB-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C30H42O3
Exact Mass 450.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5p5rnTo5nOx
Name METHYL-6-OXO-6-[4-(11-PHENYLUNDECYL)-PHENYL]-HEXANOATE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O3
InChI InChI=1S/C30H42O3/c1-33-30(32)21-15-14-20-29(31)28-24-22-27(23-25-28)19-11-8-6-4-2-3-5-7-10-16-26-17-12-9-13-18-26/h9,12-13,17-18,22-25H,2-8,10-11,14-16,19-21H2,1H3
InChIKey KEOOLAQCZPVKLB-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 450.662 g/mol
Solvent CDCl3
Source File Reference UWCS20750