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Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID DQtbVpdfUlL
InChI InChI=1S/C18H20Cl4O4/c1-2-3-4-5-6-7-10-25-14(23)8-9-15(24)26-18-13(20)11-12(19)16(21)17(18)22/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKey FBMUHQGBYTWMGK-CMDGGOBGSA-N
Mol Weight 442.2 g/mol
Molecular Formula C18H20Cl4O4
Exact Mass 440.01157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7okZ1ikubHO
Name Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.011569920 u
Formula C18H20Cl4O4
InChI InChI=1S/C18H20Cl4O4/c1-2-3-4-5-6-7-10-25-14(23)8-9-15(24)26-18-13(20)11-12(19)16(21)17(18)22/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKey FBMUHQGBYTWMGK-CMDGGOBGSA-N
Molecular Weight 442.166 g/mol
SMILES C1(=CC(Cl)=C(OC(\C=C\C(OCCCCCCCC)=O)=O)C(=C1Cl)Cl)Cl