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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenoxy)ethyl octyl ester
SpectraBase Compound ID Fe5ILD15w9B
InChI InChI=1S/C24H29ClO5/c1-2-3-4-5-6-11-16-29-23(26)19-12-7-8-13-20(19)24(27)30-18-17-28-22-15-10-9-14-21(22)25/h7-10,12-15H,2-6,11,16-18H2,1H3
InChIKey HKESLZLWLPTJTC-UHFFFAOYSA-N
Mol Weight 432.94 g/mol
Molecular Formula C24H29ClO5
Exact Mass 432.170352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMry3yjfGi6
Name Phthalic acid, 2-(4-chlorophenoxy)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.170351729 u
Formula C24H29ClO5
InChI InChI=1S/C24H29ClO5/c1-2-3-4-5-6-11-16-29-23(26)19-12-7-8-13-20(19)24(27)30-18-17-28-22-15-10-9-14-21(22)25/h7-10,12-15H,2-6,11,16-18H2,1H3
InChIKey HKESLZLWLPTJTC-UHFFFAOYSA-N
Molecular Weight 432.944 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCCCCCCC)=O