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Phthalic acid, 2,5-dichlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl pentyl ester
SpectraBase Compound ID DYRQeIqxB7G
InChI InChI=1S/C19H18Cl2O4/c1-2-3-6-11-24-18(22)14-7-4-5-8-15(14)19(23)25-17-12-13(20)9-10-16(17)21/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKey LNLLOKMOTKBCBD-UHFFFAOYSA-N
Mol Weight 381.26 g/mol
Molecular Formula C19H18Cl2O4
Exact Mass 380.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GoSsfOOOdbs
Name Phthalic acid, 2,5-dichlorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-2-3-6-11-24-18(22)14-7-4-5-8-15(14)19(23)25-17-12-13(20)9-10-16(17)21/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKey LNLLOKMOTKBCBD-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCC)=O