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Glutaric acid, 2-(2,4-dichlorophenyl)ethyl isobutyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2,4-dichlorophenyl)ethyl isobutyl ester
SpectraBase Compound ID AgvH23M8QxC
InChI InChI=1S/C17H22Cl2O4/c1-12(2)11-23-17(21)5-3-4-16(20)22-9-8-13-6-7-14(18)10-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKey OPDVJVAZVYAUOZ-UHFFFAOYSA-N
Mol Weight 361.27 g/mol
Molecular Formula C17H22Cl2O4
Exact Mass 360.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9X2v5Pb4eV
Name Glutaric acid, 2-(2,4-dichlorophenyl)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.089514584 u
Formula C17H22Cl2O4
InChI InChI=1S/C17H22Cl2O4/c1-12(2)11-23-17(21)5-3-4-16(20)22-9-8-13-6-7-14(18)10-15(13)19/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKey OPDVJVAZVYAUOZ-UHFFFAOYSA-N
Molecular Weight 361.265 g/mol
SMILES C(OCCC1=CC=C(C=C1Cl)Cl)(=O)CCCC(OCC(C)C)=O