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Isophthalic acid, 3,5-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-dichlorophenyl nonyl ester
SpectraBase Compound ID LoHxC4QrcEE
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-7-8-12-28-22(26)17-10-9-11-18(13-17)23(27)29-21-15-19(24)14-20(25)16-21/h9-11,13-16H,2-8,12H2,1H3
InChIKey WNVCQVCTVQSTCT-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 BH8nbLieJVL
Name Isophthalic acid, 3,5-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.120814713 u
Formula C23H26Cl2O4
InChI InChI=1S/C23H26Cl2O4/c1-2-3-4-5-6-7-8-12-28-22(26)17-10-9-11-18(13-17)23(27)29-21-15-19(24)14-20(25)16-21/h9-11,13-16H,2-8,12H2,1H3
InChIKey WNVCQVCTVQSTCT-UHFFFAOYSA-N
Molecular Weight 437.363 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCC)C(OC1=CC(=CC(=C1)Cl)Cl)=O