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Isophthalic acid, nonyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, nonyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID GvNgRDZ3Pm7
InChI InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-8-12-29-22(27)16-10-9-11-17(13-16)23(28)30-21-19(25)14-18(24)15-20(21)26/h9-11,13-15H,2-8,12H2,1H3
InChIKey AAXXQKUSRGISMD-UHFFFAOYSA-N
Mol Weight 471.81 g/mol
Molecular Formula C23H25Cl3O4
Exact Mass 470.081842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5c9o0Y10o3o
Name Isophthalic acid, nonyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.081842381 u
Formula C23H25Cl3O4
InChI InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-8-12-29-22(27)16-10-9-11-17(13-16)23(28)30-21-19(25)14-18(24)15-20(21)26/h9-11,13-15H,2-8,12H2,1H3
InChIKey AAXXQKUSRGISMD-UHFFFAOYSA-N
Molecular Weight 471.808 g/mol
SMILES CCCCCCCCCOC(C=1C=C(C(OC2=C(C=C(Cl)C=C2Cl)Cl)=O)C=CC1)=O