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Adipic acid, isohexyl 2,3,4,6-tetrachlorophenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, isohexyl 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID 14bp4PMZvDO
InChI InChI=1S/C18H22Cl4O4/c1-11(2)6-5-9-25-14(23)7-3-4-8-15(24)26-18-13(20)10-12(19)16(21)17(18)22/h10-11H,3-9H2,1-2H3
InChIKey WNZIYHGVWGWMLF-UHFFFAOYSA-N
Mol Weight 444.2 g/mol
Molecular Formula C18H22Cl4O4
Exact Mass 442.02722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FIA3OzGWuS
Name Adipic acid, isohexyl 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.027219984 u
Formula C18H22Cl4O4
InChI InChI=1S/C18H22Cl4O4/c1-11(2)6-5-9-25-14(23)7-3-4-8-15(24)26-18-13(20)10-12(19)16(21)17(18)22/h10-11H,3-9H2,1-2H3
InChIKey WNZIYHGVWGWMLF-UHFFFAOYSA-N
Molecular Weight 444.182 g/mol
SMILES C(CCCC(OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)=O)C(OCCCC(C)C)=O