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Isophthalic acid, 2,4-dichlorophenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,4-dichlorophenyl decyl ester
SpectraBase Compound ID Bz6RFG6ETfD
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-9-15-29-23(27)18-11-10-12-19(16-18)24(28)30-22-14-13-20(25)17-21(22)26/h10-14,16-17H,2-9,15H2,1H3
InChIKey OXGZHLLHTHGDNK-UHFFFAOYSA-N
Mol Weight 451.39 g/mol
Molecular Formula C24H28Cl2O4
Exact Mass 450.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WAAwmfxP6c
Name Isophthalic acid, 2,4-dichlorophenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.136464778 u
Formula C24H28Cl2O4
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-9-15-29-23(27)18-11-10-12-19(16-18)24(28)30-22-14-13-20(25)17-21(22)26/h10-14,16-17H,2-9,15H2,1H3
InChIKey OXGZHLLHTHGDNK-UHFFFAOYSA-N
Molecular Weight 451.390 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCCCC)=O)=O)=C(C=C1Cl)Cl