SpectraBase Spectrum ID |
F27Msvc4Ro1 |
Name |
5-(4-Bromophenyl)-3-(trifluoromethyl)pent-4-ynenitrile |
Appearance |
Yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H7BrF3N |
InChI |
InChI=1S/C12H7BrF3N/c13-11-5-2-9(3-6-11)1-4-10(7-8-17)12(14,15)16/h2-3,5-6,10H,7H2 |
InChIKey |
UHFBARIQXAJFNJ-UHFFFAOYSA-N |
Instrument Name |
HRMS |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
Molecular Weight |
302.094 g/mol |
Reported Formula |
C12H7BrF3N |
SMILES |
c1cc(C#CC(C(F)(F)F)CC#N)ccc1Br |
SPLASH |
splash10-0ik9-0296000000-ee9008af25a19ce94ee9 |
Source of Spectrum |
A1-23-SM89-4n |
Wiley ID |
1870258 |