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Phthalic acid, 2-(4-chlorophenyl)ethyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenyl)ethyl octyl ester
SpectraBase Compound ID KaqlgJEUe9d
InChI InChI=1S/C24H29ClO4/c1-2-3-4-5-6-9-17-28-23(26)21-10-7-8-11-22(21)24(27)29-18-16-19-12-14-20(25)15-13-19/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey IWKJRJMQAVVRJZ-UHFFFAOYSA-N
Mol Weight 416.95 g/mol
Molecular Formula C24H29ClO4
Exact Mass 416.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FGu6IFQiQt
Name Phthalic acid, 2-(4-chlorophenyl)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.175437110 u
Formula C24H29ClO4
InChI InChI=1S/C24H29ClO4/c1-2-3-4-5-6-9-17-28-23(26)21-10-7-8-11-22(21)24(27)29-18-16-19-12-14-20(25)15-13-19/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey IWKJRJMQAVVRJZ-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Cl)=O)(OCCCCCCCC)=O