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Phthalic acid, 2,5-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl nonyl ester
SpectraBase Compound ID GRmTJm0YQzv
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-7-10-15-28-22(26)18-11-8-9-12-19(18)23(27)29-21-16-17(24)13-14-20(21)25/h8-9,11-14,16H,2-7,10,15H2,1H3
InChIKey JVWUWMAKPNEHHY-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 K6FubMrG50t
Name Phthalic acid, 2,5-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.120814713 u
Formula C23H26Cl2O4
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-7-10-15-28-22(26)18-11-8-9-12-19(18)23(27)29-21-16-17(24)13-14-20(21)25/h8-9,11-14,16H,2-7,10,15H2,1H3
InChIKey JVWUWMAKPNEHHY-UHFFFAOYSA-N
Molecular Weight 437.363 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCCCC)=O