| SpectraBase Spectrum ID |
5HY43RSG1I |
| Name |
2-(3,5-bis(phenylethynyl)pyridin-4-yl)-6-fluorobenzaldehyde |
| Appearance |
Off-white crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.121592301 u |
| Formula |
C28H16FNO |
| GC Column |
HP-5 |
| InChI |
InChI=1S/C28H16FNO/c29-27-13-7-12-25(26(27)20-31)28-23(16-14-21-8-3-1-4-9-21)18-30-19-24(28)17-15-22-10-5-2-6-11-22/h1-13,18-20H |
| InChIKey |
DILXATQHMHDGGS-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890-5973 or Agilent 7890-5977 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202204011 |
| Molecular Weight |
401.440 g/mol |
| Reported Formula |
C28H16FNO |
| SMILES |
C1(=CC=CC=C1)C#CC=1C=NC=C(C1C1=C(C(=CC=C1)F)C=O)C#CC1=CC=CC=C1 |
| SPLASH |
splash10-00di-0009100000-1ee72532a40a3a788ea8 |
| Source of Spectrum |
QE-29-12-3d (DOI: 10.1002/chem.202204011) |
| Thin-Layer Chromatography |
0.31 (heptanes/ethyl acetate, 3:1) |
| Wiley ID |
1909412 |
