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Phthalic acid, 2,5-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl heptyl ester
SpectraBase Compound ID Bxx2Lt8TrXD
InChI InChI=1S/C21H22Cl2O4/c1-2-3-4-5-8-13-26-20(24)16-9-6-7-10-17(16)21(25)27-19-14-15(22)11-12-18(19)23/h6-7,9-12,14H,2-5,8,13H2,1H3
InChIKey BHDGHAKSHHNOGZ-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 Hf39BYXSiF2
Name Phthalic acid, 2,5-dichlorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.089514584 u
Formula C21H22Cl2O4
InChI InChI=1S/C21H22Cl2O4/c1-2-3-4-5-8-13-26-20(24)16-9-6-7-10-17(16)21(25)27-19-14-15(22)11-12-18(19)23/h6-7,9-12,14H,2-5,8,13H2,1H3
InChIKey BHDGHAKSHHNOGZ-UHFFFAOYSA-N
Molecular Weight 409.309 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCC)=O