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Isophthalic acid, 2,3-dichlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,3-dichlorophenyl pentyl ester
SpectraBase Compound ID 1VltQKICeFS
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-11-24-18(22)13-7-5-8-14(12-13)19(23)25-16-10-6-9-15(20)17(16)21/h5-10,12H,2-4,11H2,1H3
InChIKey BJYLDRTWLNQMLO-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 GBtzL9Kr59P
Name Isophthalic acid, 2,3-dichlorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-11-24-18(22)13-7-5-8-14(12-13)19(23)25-16-10-6-9-15(20)17(16)21/h5-10,12H,2-4,11H2,1H3
InChIKey BJYLDRTWLNQMLO-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1=C(C(=C(C=C1)Cl)Cl)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O