SpectraBase Spectrum ID |
FW1gfxI053S |
Name |
(2E)-3-(4-Chlorophenyl)-N,N-diethyl-3-(2-pyridyl)prop-2-en-1-ammonium trifluoroacetate |
Appearance |
Light brown oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H22ClF3N2O2 |
InChI |
InChI=1S/C18H21ClN2.C2HF3O2/c1-3-21(4-2)14-12-17(18-7-5-6-13-20-18)15-8-10-16(19)11-9-15;3-2(4,5)1(6)7/h5-13H,3-4,14H2,1-2H3;(H,6,7)/b17-12+; |
InChIKey |
NIQKAMTUJKCPSM-KCUXUEJTSA-N |
Instrument Name |
VG autospec |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/ml5000228 |
Molecular Weight |
414.856 g/mol |
Reported Formula |
C18H21N2(35)Cl |
SMILES |
OC(C(F)(F)F)=O.c1cnc(cc1)\C(c1ccc(cc1)Cl)=C\CN(CC)CC |
SPLASH |
splash10-0fi3-5395000000-d28fd2387c45ecceaf1c |
Source of Spectrum |
MCS-5-SM9-12a |
Wiley ID |
1864170 |