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Sebacic acid, di(2-acetylphenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(2-acetylphenyl) ester
SpectraBase Compound ID BjoBoA1tIn2
InChI InChI=1S/C26H30O6/c1-19(27)21-13-9-11-15-23(21)31-25(29)17-7-5-3-4-6-8-18-26(30)32-24-16-12-10-14-22(24)20(2)28/h9-16H,3-8,17-18H2,1-2H3
InChIKey MSKCJRWMWHHQJW-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IM30QJBhGod
Name Sebacic acid, di(2-acetylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 438.204238680 u
Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-19(27)21-13-9-11-15-23(21)31-25(29)17-7-5-3-4-6-8-18-26(30)32-24-16-12-10-14-22(24)20(2)28/h9-16H,3-8,17-18H2,1-2H3
InChIKey MSKCJRWMWHHQJW-UHFFFAOYSA-N
Molecular Weight 438.520 g/mol
SMILES C(CCCCC(OC1=C(C(C)=O)C=CC=C1)=O)CCCC(OC=1C(C(C)=O)=CC=CC1)=O