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Phthalic acid, 2,5-dichlorobenzyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorobenzyl pentyl ester
SpectraBase Compound ID 9RTmFLRGqbH
InChI InChI=1S/C20H20Cl2O4/c1-2-3-6-11-25-19(23)16-7-4-5-8-17(16)20(24)26-13-14-12-15(21)9-10-18(14)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKey XVATYNXRLZPFCH-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 uRdTgI0pBY
Name Phthalic acid, 2,5-dichlorobenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-2-3-6-11-25-19(23)16-7-4-5-8-17(16)20(24)26-13-14-12-15(21)9-10-18(14)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKey XVATYNXRLZPFCH-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=CC(=C1)Cl)Cl)C(=O)OCCCCC