| SpectraBase Spectrum ID |
LjvNrxVmRlE |
| Name |
5-(4-Fluorophenyl)-3-(trifluoromethyl)pent-4-ynenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H7F4N |
| InChI |
InChI=1S/C12H7F4N/c13-11-5-2-9(3-6-11)1-4-10(7-8-17)12(14,15)16/h2-3,5-6,10H,7H2 |
| InChIKey |
GCNATXBYCXOUIX-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
241.189 g/mol |
| Reported Formula |
C12H7F4N |
| SMILES |
c1cc(C#CC(C(F)(F)F)CC#N)ccc1F |
| SPLASH |
splash10-0udi-0490000000-331118e3aa05dfe9f354 |
| Source of Spectrum |
A1-23-SM85-4l |
| Wiley ID |
1870257 |
