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Succinic acid, octadecyl 2,2,2-trichloroethyl ester
SpectraBase Compound ID IwvyZERozUf
InChI InChI=1S/C24H43Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21-24(25,26)27/h2-21H2,1H3
InChIKey HIGJJEDMWGWLJX-UHFFFAOYSA-N
Mol Weight 502.0 g/mol
Molecular Formula C24H43Cl3O4
Exact Mass 500.222693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33b4UuTugwB
Name Succinic acid, octadecyl 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.222692961 u
Formula C24H43Cl3O4
InChI InChI=1S/C24H43Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-22(28)18-19-23(29)31-21-24(25,26)27/h2-21H2,1H3
InChIKey HIGJJEDMWGWLJX-UHFFFAOYSA-N
Molecular Weight 501.963 g/mol
SMILES C(CCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCCCCCCCC)=O