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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenyl)ethyl nonyl ester
SpectraBase Compound ID 4axWoRO6CeY
InChI InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-10-18-29-24(27)22-11-8-9-12-23(22)25(28)30-19-17-20-13-15-21(26)16-14-20/h8-9,11-16H,2-7,10,17-19H2,1H3
InChIKey KDIWRDPYKNIJCS-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lrD5f2TsEz
Name Phthalic acid, 2-(4-chlorophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-10-18-29-24(27)22-11-8-9-12-23(22)25(28)30-19-17-20-13-15-21(26)16-14-20/h8-9,11-16H,2-7,10,17-19H2,1H3
InChIKey KDIWRDPYKNIJCS-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Cl)=O)(OCCCCCCCCC)=O