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Glutaric acid, 2,4,6-trichlorophenyl 10-chlorodecyl ester

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Glutaric acid, 2,4,6-trichlorophenyl 10-chlorodecyl ester
SpectraBase Compound ID 87xnItQ6Ok8
InChI InChI=1S/C21H28Cl4O4/c22-12-7-5-3-1-2-4-6-8-13-28-19(26)10-9-11-20(27)29-21-17(24)14-16(23)15-18(21)25/h14-15H,1-13H2
InChIKey XORGHWNRWGQJLU-UHFFFAOYSA-N
Mol Weight 486.3 g/mol
Molecular Formula C21H28Cl4O4
Exact Mass 484.07417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSONwERgT5H
Name Glutaric acid, 2,4,6-trichlorophenyl 10-chlorodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.074170178 u
Formula C21H28Cl4O4
InChI InChI=1S/C21H28Cl4O4/c22-12-7-5-3-1-2-4-6-8-13-28-19(26)10-9-11-20(27)29-21-17(24)14-16(23)15-18(21)25/h14-15H,1-13H2
InChIKey XORGHWNRWGQJLU-UHFFFAOYSA-N
Molecular Weight 486.263 g/mol
SMILES C(CCC(OCCCCCCCCCCCl)=O)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O