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Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-difluorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-difluorophenyl ester
SpectraBase Compound ID 8NrvQbbgqLm
InChI InChI=1S/C18H15F2NO3/c1-2-12-5-3-4-6-16(12)21-17(22)7-8-18(23)24-15-10-13(19)9-14(20)11-15/h3-11H,2H2,1H3,(H,21,22)/b8-7+
InChIKey ZHYKIZJDNAKQTO-BQYQJAHWSA-N
Mol Weight 331.32 g/mol
Molecular Formula C18H15F2NO3
Exact Mass 331.102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YyhNaJvuLM
Name Fumaric acid, monoamide, N-(2-ethylphenyl)-, 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.101999670 u
Formula C18H15F2NO3
InChI InChI=1S/C18H15F2NO3/c1-2-12-5-3-4-6-16(12)21-17(22)7-8-18(23)24-15-10-13(19)9-14(20)11-15/h3-11H,2H2,1H3,(H,21,22)/b8-7+
InChIKey ZHYKIZJDNAKQTO-BQYQJAHWSA-N
Molecular Weight 331.319 g/mol
SMILES C(\C=C\C(=O)NC=1C(CC)=CC=CC1)(=O)OC1=CC(=CC(=C1)F)F