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Phthalic acid, 1-(2,4-dichlorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,4-dichlorophenyl)ethyl pentyl ester
SpectraBase Compound ID H8obmur3BmF
InChI InChI=1S/C21H22Cl2O4/c1-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14(2)16-11-10-15(22)13-19(16)23/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3
InChIKey DLOIYPXDWHBABB-UHFFFAOYSA-N
Mol Weight 409.31 g/mol
Molecular Formula C21H22Cl2O4
Exact Mass 408.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZOMnp55PIy
Name Phthalic acid, 1-(2,4-dichlorophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.089514584 u
Formula C21H22Cl2O4
InChI InChI=1S/C21H22Cl2O4/c1-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14(2)16-11-10-15(22)13-19(16)23/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3
InChIKey DLOIYPXDWHBABB-UHFFFAOYSA-N
Molecular Weight 409.309 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C)C1=CC=C(C=C1Cl)Cl)=O)(OCCCCC)=O