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2-{[4-(Trifluoromethyl)phenyl]ethynyl}benzaldehyde

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2-{[4-(Trifluoromethyl)phenyl]ethynyl}benzaldehyde
SpectraBase Compound ID L4XmfalMXaS
InChI InChI=1S/C16H9F3O/c17-16(18,19)15-9-6-12(7-10-15)5-8-13-3-1-2-4-14(13)11-20/h1-4,6-7,9-11H
InChIKey GPRDKCXNKMUPEY-UHFFFAOYSA-N
Mol Weight 274.24 g/mol
Molecular Formula C16H9F3O
Exact Mass 274.060549 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BPIMxxITdMC
Name 2-[2'-(p-Trifluoromethylphenyl)ethynyl]-benzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.060549398 u
Formula C16H9F3O
InChI InChI=1S/C16H9F3O/c17-16(18,19)15-9-6-12(7-10-15)5-8-13-3-1-2-4-14(13)11-20/h1-4,6-7,9-11H
InChIKey GPRDKCXNKMUPEY-UHFFFAOYSA-N
Molecular Weight 274.242 g/mol
SMILES C(C=1C(=CC=CC1)C#CC=1C=CC(=CC1)C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866862