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Succinic acid, decyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID AUuUVjApYNB
InChI InChI=1S/C20H27Cl3O4/c1-2-3-4-5-6-7-8-9-14-26-17(24)12-13-18(25)27-20-16(22)11-10-15(21)19(20)23/h10-11H,2-9,12-14H2,1H3
InChIKey YRPFYQAPLPILAM-UHFFFAOYSA-N
Mol Weight 437.79 g/mol
Molecular Formula C20H27Cl3O4
Exact Mass 436.097492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKrj7cJRXkh
Name Succinic acid, decyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.097492445 u
Formula C20H27Cl3O4
InChI InChI=1S/C20H27Cl3O4/c1-2-3-4-5-6-7-8-9-14-26-17(24)12-13-18(25)27-20-16(22)11-10-15(21)19(20)23/h10-11H,2-9,12-14H2,1H3
InChIKey YRPFYQAPLPILAM-UHFFFAOYSA-N
Molecular Weight 437.791 g/mol
SMILES C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCC)=O