| SpectraBase Spectrum ID |
IBCsGA0t4bm |
| Name |
5-(4-Aminophenyl)-3-(trifluoromethyl)pent-4-ynenitrile |
| Appearance |
Brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H9F3N2 |
| InChI |
InChI=1S/C12H9F3N2/c13-12(14,15)10(7-8-16)4-1-9-2-5-11(17)6-3-9/h2-3,5-6,10H,7,17H2 |
| InChIKey |
HBJMIDHUSBPPEQ-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
238.213 g/mol |
| Reported Formula |
C12H9F3N2 |
| SMILES |
Nc1ccc(cc1)C#CC(C(F)(F)F)CC#N |
| SPLASH |
splash10-0002-0930000000-6f0696817f118935382c |
| Source of Spectrum |
A1-23-SM77-4h |
| Wiley ID |
1870253 |
