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Glutaric acid, 2,3-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,3-dichlorophenyl tridecyl ester
SpectraBase Compound ID XwDeJoOqql
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-29-22(27)17-14-18-23(28)30-21-16-13-15-20(25)24(21)26/h13,15-16H,2-12,14,17-19H2,1H3
InChIKey DICQJJXBHHGOPZ-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H36Cl2O4
Exact Mass 458.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94xBUJBQE8U
Name Glutaric acid, 2,3-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-29-22(27)17-14-18-23(28)30-21-16-13-15-20(25)24(21)26/h13,15-16H,2-12,14,17-19H2,1H3
InChIKey DICQJJXBHHGOPZ-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES CCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1Cl)Cl)=O)=O