| SpectraBase Spectrum ID |
1wpfLTO3sAB |
| Name |
5-(4-Cyanophenyl)-3-(trifluoromethyl)pent-4-ynenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H7F3N2 |
| InChI |
InChI=1S/C13H7F3N2/c14-13(15,16)12(7-8-17)6-5-10-1-3-11(9-18)4-2-10/h1-4,12H,7H2 |
| InChIKey |
DDVCWEAKXSYWHQ-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
248.208 g/mol |
| Reported Formula |
C13H7F3N2 |
| SMILES |
c1cc(C#CC(C(F)(F)F)CC#N)ccc1C#N |
| SPLASH |
splash10-0a4i-0390000000-39497ff7433863c50257 |
| Source of Spectrum |
A1-23-SM93-4p |
| Wiley ID |
1870260 |
