| SpectraBase Spectrum ID |
ByDOYPeElZZ |
| Name |
4,4,4-Trifluoro-3-(3-nitrophenyl)butanenitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H7F3N2O2 |
| InChI |
InChI=1S/C10H7F3N2O2/c11-10(12,13)9(4-5-14)7-2-1-3-8(6-7)15(16)17/h1-3,6,9H,4H2 |
| InChIKey |
PGBGGHXJAQJTBS-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
244.173 g/mol |
| Reported Formula |
C10H7F3N2O2 |
| SMILES |
c1(cccc(C(CC#N)C(F)(F)F)c1)[N+]([O-])=O |
| SPLASH |
splash10-0m4p-1960000000-3ae686b85f150d88e829 |
| Source of Spectrum |
A1-23-SM43-2j |
| Wiley ID |
1870238 |
