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Terephthalic acid, 3,4-dichlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3,4-dichlorophenyl hexyl ester
SpectraBase Compound ID 9ctoZwj3mU0
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-6-8-15(9-7-14)20(24)26-16-10-11-17(21)18(22)13-16/h6-11,13H,2-5,12H2,1H3
InChIKey TXWPHJCCFHGOLI-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gYckVd4314
Name Terephthalic acid, 3,4-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-6-8-15(9-7-14)20(24)26-16-10-11-17(21)18(22)13-16/h6-11,13H,2-5,12H2,1H3
InChIKey TXWPHJCCFHGOLI-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OC1=CC=C(C(=C1)Cl)Cl)=O