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Phthalic acid, 2,5-dichlorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl tridecyl ester
SpectraBase Compound ID Gct4V5axljt
InChI InChI=1S/C27H34Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-32-26(30)22-15-12-13-16-23(22)27(31)33-25-20-21(28)17-18-24(25)29/h12-13,15-18,20H,2-11,14,19H2,1H3
InChIKey JSZSFCYVCPSVPH-UHFFFAOYSA-N
Mol Weight 493.5 g/mol
Molecular Formula C27H34Cl2O4
Exact Mass 492.183415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zAquQuw0w3
Name Phthalic acid, 2,5-dichlorophenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.183414971 u
Formula C27H34Cl2O4
InChI InChI=1S/C27H34Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-32-26(30)22-15-12-13-16-23(22)27(31)33-25-20-21(28)17-18-24(25)29/h12-13,15-18,20H,2-11,14,19H2,1H3
InChIKey JSZSFCYVCPSVPH-UHFFFAOYSA-N
Molecular Weight 493.471 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCCCCCCCC)=O