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Phthalic acid, 4-chlorophenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chlorophenyl 2-ethylhexyl ester
SpectraBase Compound ID 5F62WiHDrFc
InChI InChI=1S/C22H25ClO4/c1-3-5-8-16(4-2)15-26-21(24)19-9-6-7-10-20(19)22(25)27-18-13-11-17(23)12-14-18/h6-7,9-14,16H,3-5,8,15H2,1-2H3
InChIKey JGXKRCFDPDPVGE-UHFFFAOYSA-N
Mol Weight 388.89 g/mol
Molecular Formula C22H25ClO4
Exact Mass 388.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HGx4p3GjVN
Name Phthalic acid, 4-chlorophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.144136981 u
Formula C22H25ClO4
InChI InChI=1S/C22H25ClO4/c1-3-5-8-16(4-2)15-26-21(24)19-9-6-7-10-20(19)22(25)27-18-13-11-17(23)12-14-18/h6-7,9-14,16H,3-5,8,15H2,1-2H3
InChIKey JGXKRCFDPDPVGE-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OCC(CCCC)CC)=O