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4-(phenylethynyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

View entire compound with spectra: 2 NMR

4-(phenylethynyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SpectraBase Compound ID 6FkLn4kbeNx
InChI InChI=1S/C22H14F3NO2/c23-22(24,25)28-20-14-12-19(13-15-20)26-21(27)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H,(H,26,27)
InChIKey CLWCXAINDHQJHU-UHFFFAOYSA-N
Mol Weight 381.35 g/mol
Molecular Formula C22H14F3NO2
Exact Mass 381.097663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4b4RZJocE2z
Name 4-(Phenylethynyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.097663182 u
Formula C22H14F3NO2
InChI InChI=1S/C22H14F3NO2/c23-22(24,25)28-20-14-12-19(13-15-20)26-21(27)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H,(H,26,27)
InChIKey CLWCXAINDHQJHU-UHFFFAOYSA-N
Molecular Weight 381.354 g/mol
SMILES N(C(C1=CC=C(C#CC2=CC=CC=C2)C=C1)=O)C=1C=CC(OC(F)(F)F)=CC1