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Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-fluorophenyl ester
SpectraBase Compound ID HiQvqBQs7ob
InChI InChI=1S/C18H16FNO3/c1-2-13-7-3-5-9-15(13)20-17(21)11-12-18(22)23-16-10-6-4-8-14(16)19/h3-12H,2H2,1H3,(H,20,21)/b12-11+
InChIKey SDIOUGCHPJXSSZ-VAWYXSNFSA-N
Mol Weight 313.33 g/mol
Molecular Formula C18H16FNO3
Exact Mass 313.111422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPpdShcXSuK
Name Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 313.111421539 u
Formula C18H16FNO3
InChI InChI=1S/C18H16FNO3/c1-2-13-7-3-5-9-15(13)20-17(21)11-12-18(22)23-16-10-6-4-8-14(16)19/h3-12H,2H2,1H3,(H,20,21)/b12-11+
InChIKey SDIOUGCHPJXSSZ-VAWYXSNFSA-N
Molecular Weight 313.328 g/mol
SMILES CCC1=CC=CC=C1NC(\C=C\C(OC1=C(C=CC=C1)F)=O)=O