| SpectraBase Spectrum ID |
CIS5rscU8LU |
| Name |
3,5-bis((4-(trifluoromethyl)phenyl)ethynyl)-4-(1H-pyrrol-1-yl)-pyridine |
| Appearance |
Yellow solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.106117437 u |
| Formula |
C27H14F6N2 |
| InChI |
InChI=1S/C27H14F6N2/c28-26(29,30)23-11-5-19(6-12-23)3-9-21-17-34-18-22(25(21)35-15-1-2-16-35)10-4-20-7-13-24(14-8-20)27(31,32)33/h1-2,5-8,11-18H |
| InChIKey |
SUNOWTKLEMGEPB-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 5890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701347 |
| Molecular Weight |
480.413 g/mol |
| Reported Formula |
C27H14N2F6 |
| SMILES |
C=1(C#CC2=CC=C(C=C2)C(F)(F)F)C=NC=C(C#CC2=CC=C(C=C2)C(F)(F)F)C1N1C=CC=C1 |
| SPLASH |
splash10-003r-0000900000-2fc09a4666f4adbf5d44 |
| Source of Spectrum |
ACI-56-SM6-3h (DOI: 10.1002/anie.201701347) |
| Wiley ID |
1895753 |
