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Sebacic acid, di(3,4-dimethylphenyl) ester

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Sebacic acid, di(3,4-dimethylphenyl) ester
SpectraBase Compound ID KdClZCx3gjZ
InChI InChI=1S/C26H34O4/c1-19-13-15-23(17-21(19)3)29-25(27)11-9-7-5-6-8-10-12-26(28)30-24-16-14-20(2)22(4)18-24/h13-18H,5-12H2,1-4H3
InChIKey IRJRAYOZKLHMGA-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQkXEfEXi26
Name Sebacic acid, di(3,4-dimethylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-19-13-15-23(17-21(19)3)29-25(27)11-9-7-5-6-8-10-12-26(28)30-24-16-14-20(2)22(4)18-24/h13-18H,5-12H2,1-4H3
InChIKey IRJRAYOZKLHMGA-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCCCCCC(OC=1C=C(C(C)=CC1)C)=O)CC(OC=1C=CC(=C(C)C1)C)=O