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Phthalic acid, 2,4-dichlorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dichlorobenzyl nonyl ester
SpectraBase Compound ID 4s2dnACQmZ1
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-13-14-19(25)16-22(18)26/h8-9,11-14,16H,2-7,10,15,17H2,1H3
InChIKey CXEDXLICTVHBCL-UHFFFAOYSA-N
Mol Weight 451.39 g/mol
Molecular Formula C24H28Cl2O4
Exact Mass 450.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOO312ewaEj
Name Phthalic acid, 2,4-dichlorobenzyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.136464778 u
Formula C24H28Cl2O4
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-13-14-19(25)16-22(18)26/h8-9,11-14,16H,2-7,10,15,17H2,1H3
InChIKey CXEDXLICTVHBCL-UHFFFAOYSA-N
Molecular Weight 451.390 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCCCCCCCCC