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Phthalic acid, 2,5-dichlorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorobenzyl heptyl ester
SpectraBase Compound ID 5UWn3SZwnAs
InChI InChI=1S/C22H24Cl2O4/c1-2-3-4-5-8-13-27-21(25)18-9-6-7-10-19(18)22(26)28-15-16-14-17(23)11-12-20(16)24/h6-7,9-12,14H,2-5,8,13,15H2,1H3
InChIKey ZUCIXKUJAVMOEV-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 BeOnMxIg7G8
Name Phthalic acid, 2,5-dichlorobenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.105164649 u
Formula C22H24Cl2O4
InChI InChI=1S/C22H24Cl2O4/c1-2-3-4-5-8-13-27-21(25)18-9-6-7-10-19(18)22(26)28-15-16-14-17(23)11-12-20(16)24/h6-7,9-12,14H,2-5,8,13,15H2,1H3
InChIKey ZUCIXKUJAVMOEV-UHFFFAOYSA-N
Molecular Weight 423.336 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=CC(=C1)Cl)Cl)C(=O)OCCCCCCC