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Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 3-fluorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 3-fluorophenyl ester
SpectraBase Compound ID FuQFB2ngANH
InChI InChI=1S/C18H16FNO5/c1-23-13-6-7-15(16(11-13)24-2)20-17(21)8-9-18(22)25-14-5-3-4-12(19)10-14/h3-11H,1-2H3,(H,20,21)/b9-8+
InChIKey CSUQBUCVBXAXHU-CMDGGOBGSA-N
Mol Weight 345.33 g/mol
Molecular Formula C18H16FNO5
Exact Mass 345.101251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Je53ghnrqN
Name Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 3-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.101250777 u
Formula C18H16FNO5
InChI InChI=1S/C18H16FNO5/c1-23-13-6-7-15(16(11-13)24-2)20-17(21)8-9-18(22)25-14-5-3-4-12(19)10-14/h3-11H,1-2H3,(H,20,21)/b9-8+
InChIKey CSUQBUCVBXAXHU-CMDGGOBGSA-N
Molecular Weight 345.326 g/mol
SMILES C1=C(C=CC=C1F)OC(=O)\C=C\C(=O)NC=1C(OC)=CC(OC)=CC1