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3-[(1E)-3-anilino-2-cyano-3-oxo-1-propenyl]phenyl 3-fluorobenzoate

View entire compound with spectra: 2 NMR

3-[(1E)-3-anilino-2-cyano-3-oxo-1-propenyl]phenyl 3-fluorobenzoate
SpectraBase Compound ID FIXLlzUeLHQ
InChI InChI=1S/C23H15FN2O3/c24-19-8-5-7-17(14-19)23(28)29-21-11-4-6-16(13-21)12-18(15-25)22(27)26-20-9-2-1-3-10-20/h1-14H,(H,26,27)/b18-12+
InChIKey DFTCOQIZLNOGGY-LDADJPATSA-N
Mol Weight 386.38 g/mol
Molecular Formula C23H15FN2O3
Exact Mass 386.106671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlkqsHaOmjM
Name 3-[(1E)-3-Anilino-2-cyano-3-oxo-1-propenyl]phenyl 3-fluorobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.106670511 u
Formula C23H15FN2O3
InChI InChI=1S/C23H15FN2O3/c24-19-8-5-7-17(14-19)23(28)29-21-11-4-6-16(13-21)12-18(15-25)22(27)26-20-9-2-1-3-10-20/h1-14H,(H,26,27)/b18-12+
InChIKey DFTCOQIZLNOGGY-LDADJPATSA-N
Molecular Weight 386.382 g/mol
SMILES N(C(\C(=C\C1=CC(OC(C=2C=C(F)C=CC2)=O)=CC=C1)C#N)=O)C1=CC=CC=C1