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Phthalic acid, 2-(2-chlorophenyl)ethyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(2-chlorophenyl)ethyl decyl ester
SpectraBase Compound ID DJXHdb6q5J8
InChI InChI=1S/C26H33ClO4/c1-2-3-4-5-6-7-8-13-19-30-25(28)22-15-10-11-16-23(22)26(29)31-20-18-21-14-9-12-17-24(21)27/h9-12,14-17H,2-8,13,18-20H2,1H3
InChIKey WFHXYPIZHRTQAY-UHFFFAOYSA-N
Mol Weight 445.0 g/mol
Molecular Formula C26H33ClO4
Exact Mass 444.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYaU50UEzqn
Name Phthalic acid, 2-(2-chlorophenyl)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.206737239 u
Formula C26H33ClO4
InChI InChI=1S/C26H33ClO4/c1-2-3-4-5-6-7-8-13-19-30-25(28)22-15-10-11-16-23(22)26(29)31-20-18-21-14-9-12-17-24(21)27/h9-12,14-17H,2-8,13,18-20H2,1H3
InChIKey WFHXYPIZHRTQAY-UHFFFAOYSA-N
Molecular Weight 444.999 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1Cl)=O)(OCCCCCCCCCC)=O