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Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester
SpectraBase Compound ID Bex1mfo3UtQ
InChI InChI=1S/C21H23ClO4/c1-2-3-6-13-25-20(23)18-10-4-5-11-19(18)21(24)26-14-12-16-8-7-9-17(22)15-16/h4-5,7-11,15H,2-3,6,12-14H2,1H3
InChIKey SQTOJDZSDXHUBT-UHFFFAOYSA-N
Mol Weight 374.86 g/mol
Molecular Formula C21H23ClO4
Exact Mass 374.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICywpZNrinc
Name Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.128486917 u
Formula C21H23ClO4
InChI InChI=1S/C21H23ClO4/c1-2-3-6-13-25-20(23)18-10-4-5-11-19(18)21(24)26-14-12-16-8-7-9-17(22)15-16/h4-5,7-11,15H,2-3,6,12-14H2,1H3
InChIKey SQTOJDZSDXHUBT-UHFFFAOYSA-N
Molecular Weight 374.864 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC(=C1)Cl)=O)(OCCCCC)=O