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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenyl)ethyl pentadecyl ester
SpectraBase Compound ID KNbNe1P5k8o
InChI InChI=1S/C31H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-35-30(33)28-17-14-15-18-29(28)31(34)36-25-23-26-19-21-27(32)22-20-26/h14-15,17-22H,2-13,16,23-25H2,1H3
InChIKey AGZGPZKZAHDPCU-UHFFFAOYSA-N
Mol Weight 515.1 g/mol
Molecular Formula C31H43ClO4
Exact Mass 514.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCOHZpxxBS9
Name Phthalic acid, 2-(4-chlorophenyl)ethyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 514.284987561 u
Formula C31H43ClO4
InChI InChI=1S/C31H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-35-30(33)28-17-14-15-18-29(28)31(34)36-25-23-26-19-21-27(32)22-20-26/h14-15,17-22H,2-13,16,23-25H2,1H3
InChIKey AGZGPZKZAHDPCU-UHFFFAOYSA-N
Molecular Weight 515.134 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Cl)=O)(OCCCCCCCCCCCCCCC)=O