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Phthalic acid, decyl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 9XtQpTJ84ae
InChI InChI=1S/C24H27Cl3O4/c1-2-3-4-5-6-7-8-11-14-30-23(28)17-12-9-10-13-18(17)24(29)31-22-16-20(26)19(25)15-21(22)27/h9-10,12-13,15-16H,2-8,11,14H2,1H3
InChIKey ZHYOTIMRWBCYHP-UHFFFAOYSA-N
Mol Weight 485.84 g/mol
Molecular Formula C24H27Cl3O4
Exact Mass 484.097492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzeI2WQzjrZ
Name Phthalic acid, decyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.097492445 u
Formula C24H27Cl3O4
InChI InChI=1S/C24H27Cl3O4/c1-2-3-4-5-6-7-8-11-14-30-23(28)17-12-9-10-13-18(17)24(29)31-22-16-20(26)19(25)15-21(22)27/h9-10,12-13,15-16H,2-8,11,14H2,1H3
InChIKey ZHYOTIMRWBCYHP-UHFFFAOYSA-N
Molecular Weight 485.835 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O