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Terephthalic acid, 2-chlorophenyl octyl ester

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Terephthalic acid, 2-chlorophenyl octyl ester
SpectraBase Compound ID F4gPLZgySim
InChI InChI=1S/C22H25ClO4/c1-2-3-4-5-6-9-16-26-21(24)17-12-14-18(15-13-17)22(25)27-20-11-8-7-10-19(20)23/h7-8,10-15H,2-6,9,16H2,1H3
InChIKey HKKSWVRSCXEKOD-UHFFFAOYSA-N
Mol Weight 388.89 g/mol
Molecular Formula C22H25ClO4
Exact Mass 388.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFJCIsplJns
Name Terephthalic acid, 2-chlorophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.144136981 u
Formula C22H25ClO4
InChI InChI=1S/C22H25ClO4/c1-2-3-4-5-6-9-16-26-21(24)17-12-14-18(15-13-17)22(25)27-20-11-8-7-10-19(20)23/h7-8,10-15H,2-6,9,16H2,1H3
InChIKey HKKSWVRSCXEKOD-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1Cl)CCCCCCC