| SpectraBase Spectrum ID |
DAGf7hLBCZL |
| Name |
5-(4-(Pentyloxy)phenyl)-3-(trifluoromethyl)pent-4-ynenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18F3NO |
| InChI |
InChI=1S/C17H18F3NO/c1-2-3-4-13-22-16-9-6-14(7-10-16)5-8-15(11-12-21)17(18,19)20/h6-7,9-10,15H,2-4,11,13H2,1H3 |
| InChIKey |
ZXCQQEUYPNZMCB-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
309.332 g/mol |
| Reported Formula |
C17H18F3NO |
| SMILES |
c1cc(C#CC(C(F)(F)F)CC#N)ccc1OCCCCC |
| SPLASH |
splash10-000b-0893000000-7bdd05a02561a5f0dab4 |
| Source of Spectrum |
A1-23-SM69-4d |
| Wiley ID |
1870251 |
