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Fumaric acid, 2-ethylhexyl 2,3-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-ethylhexyl 2,3-dichlorophenyl ester
SpectraBase Compound ID 7jM9KyUt57u
InChI InChI=1S/C18H22Cl2O4/c1-3-5-7-13(4-2)12-23-16(21)10-11-17(22)24-15-9-6-8-14(19)18(15)20/h6,8-11,13H,3-5,7,12H2,1-2H3/b11-10+
InChIKey NFJXBCLWIXCWHC-ZHACJKMWSA-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 6eZZGAvUNZ
Name Fumaric acid, 2-ethylhexyl 2,3-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.089514584 u
Formula C18H22Cl2O4
InChI InChI=1S/C18H22Cl2O4/c1-3-5-7-13(4-2)12-23-16(21)10-11-17(22)24-15-9-6-8-14(19)18(15)20/h6,8-11,13H,3-5,7,12H2,1-2H3/b11-10+
InChIKey NFJXBCLWIXCWHC-ZHACJKMWSA-N
Molecular Weight 373.276 g/mol
SMILES C(\C=C\C(OC1=C(C(=CC=C1)Cl)Cl)=O)(OCC(CC)CCCC)=O