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Isophthalic acid, 2,4-dichlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,4-dichlorophenyl pentyl ester
SpectraBase Compound ID KloA7mOdS4K
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-9-8-15(20)12-16(17)21/h5-9,11-12H,2-4,10H2,1H3
InChIKey GQBBPZPFPVANBP-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 9Wn3AUz1Hnx
Name Isophthalic acid, 2,4-dichlorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.058214456 u
Formula C19H18Cl2O4
InChI InChI=1S/C19H18Cl2O4/c1-2-3-4-10-24-18(22)13-6-5-7-14(11-13)19(23)25-17-9-8-15(20)12-16(17)21/h5-9,11-12H,2-4,10H2,1H3
InChIKey GQBBPZPFPVANBP-UHFFFAOYSA-N
Molecular Weight 381.255 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCC)=O)=O)=C(C=C1Cl)Cl