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Sebacic acid, di(4-methylbenzyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(4-methylbenzyl) ester
SpectraBase Compound ID FjtQ1YCq2Gv
InChI InChI=1S/C26H34O4/c1-21-11-15-23(16-12-21)19-29-25(27)9-7-5-3-4-6-8-10-26(28)30-20-24-17-13-22(2)14-18-24/h11-18H,3-10,19-20H2,1-2H3
InChIKey IWYXWRUWCOVDMD-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 HvKbn6WiHVO
Name Sebacic acid, di(4-methylbenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-21-11-15-23(16-12-21)19-29-25(27)9-7-5-3-4-6-8-10-26(28)30-20-24-17-13-22(2)14-18-24/h11-18H,3-10,19-20H2,1-2H3
InChIKey IWYXWRUWCOVDMD-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCCCCCC(OCC=1C=CC(C)=CC1)=O)CC(OCC=1C=CC(=CC1)C)=O