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Butanoic acid, 4-[2-[4-(4-methoxy-1,4-dioxobutyl)phenyl]ethylphenyl]-, methyl ester
SpectraBase Compound ID 83kQzw9EJQV
InChI InChI=1S/C24H26O6/c1-29-23(27)15-13-21(25)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)22(26)14-16-24(28)30-2/h5-12H,3-4,13-16H2,1-2H3
InChIKey NNLGYFOYLIACGM-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C24H26O6
Exact Mass 410.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AcTuKpFYfc
Name Butanoic acid, 4-[2-[4-(4-methoxy-1,4-dioxobutyl)phenyl]ethylphenyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.172938551 u
Formula C24H26O6
InChI InChI=1S/C24H26O6/c1-29-23(27)15-13-21(25)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)22(26)14-16-24(28)30-2/h5-12H,3-4,13-16H2,1-2H3
InChIKey NNLGYFOYLIACGM-UHFFFAOYSA-N
Molecular Weight 410.466 g/mol
SMILES C(C1=CC=C(C=C1)CCC=1C=CC(C(=O)CCC(=O)OC)=CC1)(=O)CCC(=O)OC