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Glutaric acid, 3,4-dimethylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3,4-dimethylphenyl tridecyl ester
SpectraBase Compound ID 4wXOQ5IzALz
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-25(27)16-15-17-26(28)30-24-19-18-22(2)23(3)21-24/h18-19,21H,4-17,20H2,1-3H3
InChIKey FEHJTVRPIHWNEG-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCjeAtmJ9N7
Name Glutaric acid, 3,4-dimethylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-25(27)16-15-17-26(28)30-24-19-18-22(2)23(3)21-24/h18-19,21H,4-17,20H2,1-3H3
InChIKey FEHJTVRPIHWNEG-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCCCCCCCCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)C)=O)=O