| SpectraBase Spectrum ID |
1KMLZbWWoSS |
| Name |
3-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pent-4-ynenitrile |
| Appearance |
Brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H7F6N |
| InChI |
InChI=1S/C13H7F6N/c14-12(15,16)10-4-1-9(2-5-10)3-6-11(7-8-20)13(17,18)19/h1-2,4-5,11H,7H2 |
| InChIKey |
NMZNBJFODKQSNS-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
291.196 g/mol |
| Reported Formula |
C13H7F6N |
| SMILES |
c1cc(C#CC(C(F)(F)F)CC#N)ccc1C(F)(F)F |
| SPLASH |
splash10-0udi-0190000000-ee8e0a982e715f4871fa |
| Source of Spectrum |
A1-23-SM91-4o |
| Wiley ID |
1870259 |
