![2-{[4-(Trifluoromethyl)phenyl]ethynyl}benzaldehyde](/api/spectrum/5np7Rn8cd34/structure.png?h=300&w=458 "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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5np7Rn8cd34 |
|---|---|
| Name | 2-[2'-(p-Trifluoromethylphenyl)ethynyl]-benzaldehyde |
| Comments | Computed using HOSE algorithm |
| 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 |