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Isophthalic acid, 2,5-dichlorophenyl hexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,5-dichlorophenyl hexyl ester
SpectraBase Compound ID HTQgbyDQoJ0
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-11-25-19(23)14-7-6-8-15(12-14)20(24)26-18-13-16(21)9-10-17(18)22/h6-10,12-13H,2-5,11H2,1H3
InChIKey ZRBGPBQTLYIPDA-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ys9pBPu5xn
Name Isophthalic acid, 2,5-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-11-25-19(23)14-7-6-8-15(12-14)20(24)26-18-13-16(21)9-10-17(18)22/h6-10,12-13H,2-5,11H2,1H3
InChIKey ZRBGPBQTLYIPDA-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES C1=C(C(=CC=C1Cl)Cl)OC(=O)C1=CC(C(OCCCCCC)=O)=CC=C1