For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-{(1E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}phenyl benzoate

View entire compound with spectra: 2 NMR

4-{(1E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}phenyl benzoate
SpectraBase Compound ID I12D5fDInlm
InChI InChI=1S/C24H15F3N2O3/c25-24(26,27)20-8-4-5-9-21(20)29-22(30)18(15-28)14-16-10-12-19(13-11-16)32-23(31)17-6-2-1-3-7-17/h1-14H,(H,29,30)/b18-14+
InChIKey PCTYIPDXTHWUCO-NBVRZTHBSA-N
Mol Weight 436.39 g/mol
Molecular Formula C24H15F3N2O3
Exact Mass 436.103477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AbnSJirZEn4
Name 4-{(1E)-2-Cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}phenyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.103476837 u
Formula C24H15F3N2O3
InChI InChI=1S/C24H15F3N2O3/c25-24(26,27)20-8-4-5-9-21(20)29-22(30)18(15-28)14-16-10-12-19(13-11-16)32-23(31)17-6-2-1-3-7-17/h1-14H,(H,29,30)/b18-14+
InChIKey PCTYIPDXTHWUCO-NBVRZTHBSA-N
Molecular Weight 436.390 g/mol
SMILES N(C(\C(=C\C=1C=CC(OC(=O)C=2C=CC=CC2)=CC1)C#N)=O)C=1C(C(F)(F)F)=CC=CC1