| SpectraBase Spectrum ID |
3LVL8o8pIGm |
| Name |
(3E)-4-(3-Chlorophenyl)-N,N-dimethyl-4-(2-pyridyl)but-3-en-1-ammonium trifluoroacetate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20ClF3N2O2 |
| InChI |
InChI=1S/C17H19ClN2.C2HF3O2/c1-20(2)12-6-9-16(17-10-3-4-11-19-17)14-7-5-8-15(18)13-14;3-2(4,5)1(6)7/h3-5,7-11,13H,6,12H2,1-2H3;(H,6,7)/b16-9+; |
| InChIKey |
CYDDRVCCCOLRFE-QOVZSLTQSA-N |
| Instrument Name |
VG autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml5000228 |
| Molecular Weight |
400.829 g/mol |
| Reported Formula |
C17H19N2(35)Cl |
| SMILES |
OC(C(F)(F)F)=O.c1ccc(nc1)\C(c1cccc(c1)Cl)=C\CCN(C)C |
| SPLASH |
splash10-0a4i-9020000000-cdd96dbb156340856615 |
| Source of Spectrum |
MCS-5-SM12-15a |
| Wiley ID |
1864179 |
