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Phthalic acid, 3-chlorophenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorophenyl 2-ethylhexyl ester
SpectraBase Compound ID KFh0BqbEZih
InChI InChI=1S/C22H25ClO4/c1-3-5-9-16(4-2)15-26-21(24)19-12-6-7-13-20(19)22(25)27-18-11-8-10-17(23)14-18/h6-8,10-14,16H,3-5,9,15H2,1-2H3
InChIKey IHNOHZSACGOCLC-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 5kb8dy8ENfw
Name Phthalic acid, 3-chlorophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.144136981 u
Formula C22H25ClO4
InChI InChI=1S/C22H25ClO4/c1-3-5-9-16(4-2)15-26-21(24)19-12-6-7-13-20(19)22(25)27-18-11-8-10-17(23)14-18/h6-8,10-14,16H,3-5,9,15H2,1-2H3
InChIKey IHNOHZSACGOCLC-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C1=C(C=C(C=C1)Cl)OC(=O)C1=C(C=CC=C1)C(OCC(CC)CCCC)=O