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Isophthalic acid, 2,4-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,4-dichlorophenyl nonyl ester
SpectraBase Compound ID 9rsqLaL9KeG
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-7-8-14-28-22(26)17-10-9-11-18(15-17)23(27)29-21-13-12-19(24)16-20(21)25/h9-13,15-16H,2-8,14H2,1H3
InChIKey CGRFUOSZZDPCMC-UHFFFAOYSA-N
Mol Weight 437.36 g/mol
Molecular Formula C23H26Cl2O4
Exact Mass 436.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jHHeEVVI50
Name Isophthalic acid, 2,4-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.120814713 u
Formula C23H26Cl2O4
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-7-8-14-28-22(26)17-10-9-11-18(15-17)23(27)29-21-13-12-19(24)16-20(21)25/h9-13,15-16H,2-8,14H2,1H3
InChIKey CGRFUOSZZDPCMC-UHFFFAOYSA-N
Molecular Weight 437.363 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCCC)=O)=O)=C(C=C1Cl)Cl