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Terephthalic acid, 2,2-dichloroethyl undecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2,2-dichloroethyl undecyl ester
SpectraBase Compound ID I6YlnaJGYil
InChI InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-15-26-20(24)17-11-13-18(14-12-17)21(25)27-16-19(22)23/h11-14,19H,2-10,15-16H2,1H3
InChIKey NVKZMLDDQDJMCF-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C21H30Cl2O4
Exact Mass 416.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDykgMpWPXp
Name Terephthalic acid, 2,2-dichloroethyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.152114842 u
Formula C21H30Cl2O4
InChI InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-15-26-20(24)17-11-13-18(14-12-17)21(25)27-16-19(22)23/h11-14,19H,2-10,15-16H2,1H3
InChIKey NVKZMLDDQDJMCF-UHFFFAOYSA-N
Molecular Weight 417.373 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCCCC)=O)C(OCC(Cl)Cl)=O