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Phthalic acid, 3,4-dichlorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dichlorophenyl isohexyl ester
SpectraBase Compound ID IYUo361pHXU
InChI InChI=1S/C20H20Cl2O4/c1-13(2)6-5-11-25-19(23)15-7-3-4-8-16(15)20(24)26-14-9-10-17(21)18(22)12-14/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKey NMFNZGTZRHLNMJ-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 1aHmjM8UZha
Name Phthalic acid, 3,4-dichlorophenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-13(2)6-5-11-25-19(23)15-7-3-4-8-16(15)20(24)26-14-9-10-17(21)18(22)12-14/h3-4,7-10,12-13H,5-6,11H2,1-2H3
InChIKey NMFNZGTZRHLNMJ-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES CC(C)CCCOC(C1=CC=CC=C1C(OC1=CC=C(C(=C1)Cl)Cl)=O)=O