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Phthalic acid, nonyl 3,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 3,4,5-trichlorophenyl ester
SpectraBase Compound ID I0qEIzDxu7V
InChI InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-10-13-29-22(27)17-11-8-9-12-18(17)23(28)30-16-14-19(24)21(26)20(25)15-16/h8-9,11-12,14-15H,2-7,10,13H2,1H3
InChIKey NZGOFFPTTUYGKP-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 ChR7HlAvA9a
Name Phthalic acid, nonyl 3,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.081842381 u
Formula C23H25Cl3O4
InChI InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-10-13-29-22(27)17-11-8-9-12-18(17)23(28)30-16-14-19(24)21(26)20(25)15-16/h8-9,11-12,14-15H,2-7,10,13H2,1H3
InChIKey NZGOFFPTTUYGKP-UHFFFAOYSA-N
Molecular Weight 471.808 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCC)=O)C(OC1=CC(=C(C(=C1)Cl)Cl)Cl)=O