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(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[2-(1-naphthylmethoxy)phenyl]-2-propenamide

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(2E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[2-(1-naphthylmethoxy)phenyl]-2-propenamide
SpectraBase Compound ID 71h4miTgxBB
InChI InChI=1S/C28H18ClF3N2O2/c29-24-13-12-22(28(30,31)32)15-25(24)34-27(35)21(16-33)14-19-7-2-4-11-26(19)36-17-20-9-5-8-18-6-1-3-10-23(18)20/h1-15H,17H2,(H,34,35)/b21-14+
InChIKey ZASDJWOSKQINDX-KGENOOAVSA-N
Mol Weight 506.91 g/mol
Molecular Formula C28H18ClF3N2O2
Exact Mass 506.10089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9r91dQPMNjo
Name (2E)-N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[2-(1-naphthylmethoxy)phenyl]-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.100890015 u
Formula C28H18ClF3N2O2
InChI InChI=1S/C28H18ClF3N2O2/c29-24-13-12-22(28(30,31)32)15-25(24)34-27(35)21(16-33)14-19-7-2-4-11-26(19)36-17-20-9-5-8-18-6-1-3-10-23(18)20/h1-15H,17H2,(H,34,35)/b21-14+
InChIKey ZASDJWOSKQINDX-KGENOOAVSA-N
Molecular Weight 506.912 g/mol
SMILES N(C(\C(=C\C1=C(OCC=2C=3C(=CC=CC3)C=CC2)C=CC=C1)C#N)=O)C=1C=C(C(F)(F)F)C=CC1Cl