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

View entire compound with spectra: 1 NMR

Fumaric acid, dodecyl 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID 6nTEPbOWsyf
InChI InChI=1S/C22H28Cl4O4/c1-2-3-4-5-6-7-8-9-10-11-14-29-18(27)12-13-19(28)30-22-17(24)15-16(23)20(25)21(22)26/h12-13,15H,2-11,14H2,1H3/b13-12+
InChIKey WQPUSNHVQBXBHQ-OUKQBFOZSA-N
Mol Weight 498.3 g/mol
Molecular Formula C22H28Cl4O4
Exact Mass 496.07417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9W8P4jzv9CO
Name Fumaric acid, dodecyl 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.074170178 u
Formula C22H28Cl4O4
InChI InChI=1S/C22H28Cl4O4/c1-2-3-4-5-6-7-8-9-10-11-14-29-18(27)12-13-19(28)30-22-17(24)15-16(23)20(25)21(22)26/h12-13,15H,2-11,14H2,1H3/b13-12+
InChIKey WQPUSNHVQBXBHQ-OUKQBFOZSA-N
Molecular Weight 498.274 g/mol
SMILES C1(=CC(Cl)=C(OC(\C=C\C(OCCCCCCCCCCCC)=O)=O)C(=C1Cl)Cl)Cl