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Fumaric acid, naphth-1-yl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, naphth-1-yl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID DjK1L4Hi1KN
InChI InChI=1S/C20H11Cl3O4/c21-13-10-15(22)20(16(23)11-13)27-19(25)9-8-18(24)26-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H/b9-8+
InChIKey SHPOCXLCCDDZBJ-CMDGGOBGSA-N
Mol Weight 421.66 g/mol
Molecular Formula C20H11Cl3O4
Exact Mass 419.972292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FGv8HAGFFp
Name Fumaric acid, naphth-1-yl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.972291930 u
Formula C20H11Cl3O4
InChI InChI=1S/C20H11Cl3O4/c21-13-10-15(22)20(16(23)11-13)27-19(25)9-8-18(24)26-17-7-3-5-12-4-1-2-6-14(12)17/h1-11H/b9-8+
InChIKey SHPOCXLCCDDZBJ-CMDGGOBGSA-N
Molecular Weight 421.663 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=CC=CC2=C1C=CC=C2)=O