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Glutaric acid, 2,4,6-trichlorophenyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl 2-isopropoxyphenyl ester
SpectraBase Compound ID FY459JH1zBA
InChI InChI=1S/C20H19Cl3O5/c1-12(2)26-16-6-3-4-7-17(16)27-18(24)8-5-9-19(25)28-20-14(22)10-13(21)11-15(20)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChIKey UEABWCZPIMGXFL-UHFFFAOYSA-N
Mol Weight 445.73 g/mol
Molecular Formula C20H19Cl3O5
Exact Mass 444.029807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMx0hweaQE5
Name Glutaric acid, 2,4,6-trichlorophenyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.029806807 u
Formula C20H19Cl3O5
InChI InChI=1S/C20H19Cl3O5/c1-12(2)26-16-6-3-4-7-17(16)27-18(24)8-5-9-19(25)28-20-14(22)10-13(21)11-15(20)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3
InChIKey UEABWCZPIMGXFL-UHFFFAOYSA-N
Molecular Weight 445.726 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC=1C(=CC=CC1)OC(C)C)=O