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Phthalic acid, di(2,4,6-trichlorobenzyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(2,4,6-trichlorobenzyl) ester
SpectraBase Compound ID Eop8Uh8SFDk
InChI InChI=1S/C22H12Cl6O4/c23-11-5-17(25)15(18(26)6-11)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-16-19(27)7-12(24)8-20(16)28/h1-8H,9-10H2
InChIKey XQNLRWJXCKJBAO-UHFFFAOYSA-N
Mol Weight 553.1 g/mol
Molecular Formula C22H12Cl6O4
Exact Mass 549.886675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J020UvINll1
Name Phthalic acid, di(2,4,6-trichlorobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.886675062 u
Formula C22H12Cl6O4
InChI InChI=1S/C22H12Cl6O4/c23-11-5-17(25)15(18(26)6-11)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-16-19(27)7-12(24)8-20(16)28/h1-8H,9-10H2
InChIKey XQNLRWJXCKJBAO-UHFFFAOYSA-N
Molecular Weight 553.052 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl