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Phthalic acid, 2,5-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl octyl ester
SpectraBase Compound ID 2bCJvPYg8fh
InChI InChI=1S/C22H24Cl2O4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-15-16(23)12-13-19(20)24/h7-8,10-13,15H,2-6,9,14H2,1H3
InChIKey NXIZPEJRLDZDNB-UHFFFAOYSA-N
Mol Weight 423.34 g/mol
Molecular Formula C22H24Cl2O4
Exact Mass 422.105165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6jRq9QYcmn
Name Phthalic acid, 2,5-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.105164649 u
Formula C22H24Cl2O4
InChI InChI=1S/C22H24Cl2O4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-15-16(23)12-13-19(20)24/h7-8,10-13,15H,2-6,9,14H2,1H3
InChIKey NXIZPEJRLDZDNB-UHFFFAOYSA-N
Molecular Weight 423.336 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCCC)=O