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Phthalic acid, 2,4-dichlorobenzyl isobutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dichlorobenzyl isobutyl ester
SpectraBase Compound ID AKmXSRmoy2l
InChI InChI=1S/C19H18Cl2O4/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-7-8-14(20)9-17(13)21/h3-9,12H,10-11H2,1-2H3
InChIKey JMLNRSVUVOCUHU-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTK5YIRyckE
Name Phthalic acid, 2,4-dichlorobenzyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-12(2)10-24-18(22)15-5-3-4-6-16(15)19(23)25-11-13-7-8-14(20)9-17(13)21/h3-9,12H,10-11H2,1-2H3
InChIKey JMLNRSVUVOCUHU-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCC(C)C