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Phthalic acid, decyl 2,4-dichlorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,4-dichlorobenzyl ester
SpectraBase Compound ID AH0dBfaLWWi
InChI InChI=1S/C25H30Cl2O4/c1-2-3-4-5-6-7-8-11-16-30-24(28)21-12-9-10-13-22(21)25(29)31-18-19-14-15-20(26)17-23(19)27/h9-10,12-15,17H,2-8,11,16,18H2,1H3
InChIKey UZNRCIPCUQALLQ-UHFFFAOYSA-N
Mol Weight 465.42 g/mol
Molecular Formula C25H30Cl2O4
Exact Mass 464.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BAkTgY7ZvF
Name Phthalic acid, decyl 2,4-dichlorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.152114842 u
Formula C25H30Cl2O4
InChI InChI=1S/C25H30Cl2O4/c1-2-3-4-5-6-7-8-11-16-30-24(28)21-12-9-10-13-22(21)25(29)31-18-19-14-15-20(26)17-23(19)27/h9-10,12-15,17H,2-8,11,16,18H2,1H3
InChIKey UZNRCIPCUQALLQ-UHFFFAOYSA-N
Molecular Weight 465.417 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCCCCCCCCCC