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Phthalic acid, nonyl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID 55xu4DMNJvI
InChI InChI=1S/C24H27Cl3O4/c1-2-3-4-5-6-7-10-13-30-23(28)18-11-8-9-12-19(18)24(29)31-16-20-21(26)14-17(25)15-22(20)27/h8-9,11-12,14-15H,2-7,10,13,16H2,1H3
InChIKey MBKRMIURVPUAPY-UHFFFAOYSA-N
Mol Weight 485.84 g/mol
Molecular Formula C24H27Cl3O4
Exact Mass 484.097492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F85Edoiqhmv
Name Phthalic acid, nonyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.097492445 u
Formula C24H27Cl3O4
InChI InChI=1S/C24H27Cl3O4/c1-2-3-4-5-6-7-10-13-30-23(28)18-11-8-9-12-19(18)24(29)31-16-20-21(26)14-17(25)15-22(20)27/h8-9,11-12,14-15H,2-7,10,13,16H2,1H3
InChIKey MBKRMIURVPUAPY-UHFFFAOYSA-N
Molecular Weight 485.835 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OCCCCCCCCC