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Phthalic acid, decyl 2,5-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,5-dichlorophenyl ester
SpectraBase Compound ID 492RozEMk28
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-11-16-29-23(27)19-12-9-10-13-20(19)24(28)30-22-17-18(25)14-15-21(22)26/h9-10,12-15,17H,2-8,11,16H2,1H3
InChIKey OFJDKCARGBMFTD-UHFFFAOYSA-N
Mol Weight 451.39 g/mol
Molecular Formula C24H28Cl2O4
Exact Mass 450.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQfS6cKB4ep
Name Phthalic acid, decyl 2,5-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.136464778 u
Formula C24H28Cl2O4
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-11-16-29-23(27)19-12-9-10-13-20(19)24(28)30-22-17-18(25)14-15-21(22)26/h9-10,12-15,17H,2-8,11,16H2,1H3
InChIKey OFJDKCARGBMFTD-UHFFFAOYSA-N
Molecular Weight 451.390 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCCCCC)=O