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

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,4-dichlorophenyl)ethyl isohexyl ester
SpectraBase Compound ID Ktii1f3dGJ9
InChI InChI=1S/C22H24Cl2O4/c1-14(2)7-6-12-27-21(25)18-8-4-5-9-19(18)22(26)28-15(3)17-11-10-16(23)13-20(17)24/h4-5,8-11,13-15H,6-7,12H2,1-3H3
InChIKey LNTDQWCFVPOTCU-UHFFFAOYSA-N
Mol Weight 423.34 g/mol
Molecular Formula C22H24Cl2O4
Exact Mass 422.105165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvUYWTaMfa8
Name Phthalic acid, 1-(2,4-dichlorophenyl)ethyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.105164649 u
Formula C22H24Cl2O4
InChI InChI=1S/C22H24Cl2O4/c1-14(2)7-6-12-27-21(25)18-8-4-5-9-19(18)22(26)28-15(3)17-11-10-16(23)13-20(17)24/h4-5,8-11,13-15H,6-7,12H2,1-3H3
InChIKey LNTDQWCFVPOTCU-UHFFFAOYSA-N
Molecular Weight 423.336 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C)C1=C(C=C(C=C1)Cl)Cl)=O)(OCCCC(C)C)=O