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Terephthalic acid, 2,2-dichloroethyl tridecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2,2-dichloroethyl tridecyl ester
SpectraBase Compound ID 7WEXoDx9Jnf
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-28-22(26)19-13-15-20(16-14-19)23(27)29-18-21(24)25/h13-16,21H,2-12,17-18H2,1H3
InChIKey XRBOFPLZFNMGFU-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C23H34Cl2O4
Exact Mass 444.183415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YnSxSChOMf
Name Terephthalic acid, 2,2-dichloroethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-28-22(26)19-13-15-20(16-14-19)23(27)29-18-21(24)25/h13-16,21H,2-12,17-18H2,1H3
InChIKey XRBOFPLZFNMGFU-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCCCCCC)=O)C(OCC(Cl)Cl)=O