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2,2,2-trifluoro-N-(3-{(2E)-3-[4-((1E)-3-oxo-3-{3-[(trifluoroacetyl)amino]phenyl}-1-propenyl)phenyl]-2-propenoyl}phenyl)acetamide

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2,2,2-trifluoro-N-(3-{(2E)-3-[4-((1E)-3-oxo-3-{3-[(trifluoroacetyl)amino]phenyl}-1-propenyl)phenyl]-2-propenoyl}phenyl)acetamide
SpectraBase Compound ID Ln0Suq4PK0A
InChI InChI=1S/C28H18F6N2O4/c29-27(30,31)25(39)35-21-5-1-3-19(15-21)23(37)13-11-17-7-9-18(10-8-17)12-14-24(38)20-4-2-6-22(16-20)36-26(40)28(32,33)34/h1-16H,(H,35,39)(H,36,40)/b13-11+,14-12+
InChIKey GOJRITUCYAHKSA-PHEQNACWSA-N
Mol Weight 560.45 g/mol
Molecular Formula C28H18F6N2O4
Exact Mass 560.117076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hy0qQ65qOl1
Name 2,2,2-Trifluoro-N-(3-{(2E)-3-[4-((1E)-3-oxo-3-{3-[(trifluoroacetyl)amino]phenyl}-1-propenyl)phenyl]-2-propenoyl}phenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 560.117076042 u
Formula C28H18F6N2O4
InChI InChI=1S/C28H18F6N2O4/c29-27(30,31)25(39)35-21-5-1-3-19(15-21)23(37)13-11-17-7-9-18(10-8-17)12-14-24(38)20-4-2-6-22(16-20)36-26(40)28(32,33)34/h1-16H,(H,35,39)(H,36,40)/b13-11+,14-12+
InChIKey GOJRITUCYAHKSA-PHEQNACWSA-N
Molecular Weight 560.452 g/mol
SMILES N(C(C(F)(F)F)=O)C1=CC(C(\C=C\C2=CC=C(\C=C\C(C=3C=C(NC(C(F)(F)F)=O)C=CC3)=O)C=C2)=O)=CC=C1