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

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2-{(1E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}phenyl 1-naphthoate
SpectraBase Compound ID FrPMApEiAcr
InChI InChI=1S/C28H17F3N2O3/c29-28(30,31)23-13-4-5-14-24(23)33-26(34)20(17-32)16-19-9-2-6-15-25(19)36-27(35)22-12-7-10-18-8-1-3-11-21(18)22/h1-16H,(H,33,34)/b20-16+
InChIKey OONVAIXCJLJHNY-CAPFRKAQSA-N
Mol Weight 486.45 g/mol
Molecular Formula C28H17F3N2O3
Exact Mass 486.119127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXCg475nIhh
Name 2-{(1E)-2-Cyano-3-oxo-3-[2-(trifluoromethyl)anilino]-1-propenyl}phenyl 1-naphthoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.119126901 u
Formula C28H17F3N2O3
InChI InChI=1S/C28H17F3N2O3/c29-28(30,31)23-13-4-5-14-24(23)33-26(34)20(17-32)16-19-9-2-6-15-25(19)36-27(35)22-12-7-10-18-8-1-3-11-21(18)22/h1-16H,(H,33,34)/b20-16+
InChIKey OONVAIXCJLJHNY-CAPFRKAQSA-N
Molecular Weight 486.450 g/mol
SMILES N(C(\C(=C\C1=C(OC(C=2C=3C(=CC=CC3)C=CC2)=O)C=CC=C1)C#N)=O)C=1C(C(F)(F)F)=CC=CC1