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Fumaric acid, 2,4-dichlorophenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4-dichlorophenyl 2-ethylhexyl ester
SpectraBase Compound ID Ln2OSrKgjLH
InChI InChI=1S/C18H22Cl2O4/c1-3-5-6-13(4-2)12-23-17(21)9-10-18(22)24-16-8-7-14(19)11-15(16)20/h7-11,13H,3-6,12H2,1-2H3/b10-9+
InChIKey WLWUHSKOPQSOKH-MDZDMXLPSA-N
Mol Weight 373.28 g/mol
Molecular Formula C18H22Cl2O4
Exact Mass 372.089515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOsDnaZzGUY
Name Fumaric acid, 2,4-dichlorophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.089514584 u
Formula C18H22Cl2O4
InChI InChI=1S/C18H22Cl2O4/c1-3-5-6-13(4-2)12-23-17(21)9-10-18(22)24-16-8-7-14(19)11-15(16)20/h7-11,13H,3-6,12H2,1-2H3/b10-9+
InChIKey WLWUHSKOPQSOKH-MDZDMXLPSA-N
Molecular Weight 373.276 g/mol
SMILES C(\C=C\C(OCC(CC)CCCC)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O