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Succinic acid, 2-ethylhexyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 4yGucV4tN9w
InChI InChI=1S/C18H23Cl3O4/c1-3-5-6-12(4-2)11-24-16(22)7-8-17(23)25-18-14(20)9-13(19)10-15(18)21/h9-10,12H,3-8,11H2,1-2H3
InChIKey CEYQXODSQUKFBJ-UHFFFAOYSA-N
Mol Weight 409.74 g/mol
Molecular Formula C18H23Cl3O4
Exact Mass 408.066192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cK1P19db5l
Name Succinic acid, 2-ethylhexyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.066192317 u
Formula C18H23Cl3O4
InChI InChI=1S/C18H23Cl3O4/c1-3-5-6-12(4-2)11-24-16(22)7-8-17(23)25-18-14(20)9-13(19)10-15(18)21/h9-10,12H,3-8,11H2,1-2H3
InChIKey CEYQXODSQUKFBJ-UHFFFAOYSA-N
Molecular Weight 409.737 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O