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DIMETHYL-4,4'-[OCTANE-1,8-DIYLDI-(PARA-PHENYLENE)]-DIBUTANOATE
SpectraBase Compound ID FxHOVt8GcZ0
InChI InChI=1S/C30H42O4/c1-33-29(31)15-9-13-27-21-17-25(18-22-27)11-7-5-3-4-6-8-12-26-19-23-28(24-20-26)14-10-16-30(32)34-2/h17-24H,3-16H2,1-2H3
InChIKey TXMOPVVPAHHEFF-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlyL7f2mdbi
Name DIMETHYL-4,4'-[OCTANE-1,8-DIYLDI-(PARA-PHENYLENE)]-DIBUTANOATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-33-29(31)15-9-13-27-21-17-25(18-22-27)11-7-5-3-4-6-8-12-26-19-23-28(24-20-26)14-10-16-30(32)34-2/h17-24H,3-16H2,1-2H3
InChIKey TXMOPVVPAHHEFF-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 466.661 g/mol
Solvent CDCl3
Source File Reference UWCS20743