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Fumaric acid, naphth-2-yl 2,3-dichlorophenyl ester
SpectraBase Compound ID DVXLbYcm4CZ
InChI InChI=1S/C20H12Cl2O4/c21-16-6-3-7-17(20(16)22)26-19(24)11-10-18(23)25-15-9-8-13-4-1-2-5-14(13)12-15/h1-12H/b11-10+
InChIKey FGCYEKDAGVUERL-ZHACJKMWSA-N
Mol Weight 387.22 g/mol
Molecular Formula C20H12Cl2O4
Exact Mass 386.011264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qwaxXSC73i
Name Fumaric acid, naphth-2-yl 2,3-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.011264262 u
Formula C20H12Cl2O4
InChI InChI=1S/C20H12Cl2O4/c21-16-6-3-7-17(20(16)22)26-19(24)11-10-18(23)25-15-9-8-13-4-1-2-5-14(13)12-15/h1-12H/b11-10+
InChIKey FGCYEKDAGVUERL-ZHACJKMWSA-N
Molecular Weight 387.218 g/mol
SMILES C(\C=C\C(OC1=C(C(=CC=C1)Cl)Cl)=O)(OC1=CC=C2C(=C1)C=CC=C2)=O