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Phthalic acid, 1-(2,4-dichlorophenyl)ethyl isobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,4-dichlorophenyl)ethyl isobutyl ester
SpectraBase Compound ID DgzG1uStJfi
InChI InChI=1S/C20H20Cl2O4/c1-12(2)11-25-19(23)16-6-4-5-7-17(16)20(24)26-13(3)15-9-8-14(21)10-18(15)22/h4-10,12-13H,11H2,1-3H3
InChIKey MYZAPDYOCUGBPC-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDaKWl2Ea8C
Name Phthalic acid, 1-(2,4-dichlorophenyl)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-12(2)11-25-19(23)16-6-4-5-7-17(16)20(24)26-13(3)15-9-8-14(21)10-18(15)22/h4-10,12-13H,11H2,1-3H3
InChIKey MYZAPDYOCUGBPC-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES CC(COC(C1=C(C=CC=C1)C(OC(C)C1=CC=C(C=C1Cl)Cl)=O)=O)C