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Sebacic acid, di(2-ethylphenyl) ester

View entire compound with spectra: 1 NMR

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