| SpectraBase Spectrum ID |
9QxIRGZIaMz |
| Name |
5-(3-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(6-7-16)5-4-9-2-1-3-11(17)8-9/h1-3,8,10H,6,17H2 |
| InChIKey |
IHYVQFYPPJFXEG-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 |
Nc1cc(C#CC(C(F)(F)F)CC#N)ccc1 |
| SPLASH |
splash10-000b-0960000000-ff5368e431af16f93d64 |
| Source of Spectrum |
A1-23-SM79-4i |
| Wiley ID |
1870254 |
