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Phthalic acid, 2,4-dichlorobenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dichlorobenzyl octyl ester
SpectraBase Compound ID 43QK66J6Bht
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-9-14-28-22(26)19-10-7-8-11-20(19)23(27)29-16-17-12-13-18(24)15-21(17)25/h7-8,10-13,15H,2-6,9,14,16H2,1H3
InChIKey HPPVMVMOYDCLLM-UHFFFAOYSA-N
Mol Weight 437.36 g/mol
Molecular Formula C23H26Cl2O4
Exact Mass 436.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4F8fpODJ8vj
Name Phthalic acid, 2,4-dichlorobenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.120814713 u
Formula C23H26Cl2O4
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-9-14-28-22(26)19-10-7-8-11-20(19)23(27)29-16-17-12-13-18(24)15-21(17)25/h7-8,10-13,15H,2-6,9,14,16H2,1H3
InChIKey HPPVMVMOYDCLLM-UHFFFAOYSA-N
Molecular Weight 437.363 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCCCCCCCC