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Succinic acid, 2,3,4,6-tetrachlorophenyl undecyl ester

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Succinic acid, 2,3,4,6-tetrachlorophenyl undecyl ester
SpectraBase Compound ID 82zkTireYyx
InChI InChI=1S/C21H28Cl4O4/c1-2-3-4-5-6-7-8-9-10-13-28-17(26)11-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h14H,2-13H2,1H3
InChIKey RGKQQTWASZZIFE-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 31SanN5gGcL
Name Succinic acid, 2,3,4,6-tetrachlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.074170178 u
Formula C21H28Cl4O4
InChI InChI=1S/C21H28Cl4O4/c1-2-3-4-5-6-7-8-9-10-13-28-17(26)11-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h14H,2-13H2,1H3
InChIKey RGKQQTWASZZIFE-UHFFFAOYSA-N
Molecular Weight 486.263 g/mol
SMILES C(C(OC1=C(C=C(C(=C1Cl)Cl)Cl)Cl)=O)CC(OCCCCCCCCCCC)=O