| SpectraBase Spectrum ID |
AbzJJjvQNz6 |
| Name |
(2Z)-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-HBPAQXCTSA-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.c1ccc(nc1)\C(c1ccc(cc1)Cl)=C/CN(CC)CC |
| SPLASH |
splash10-0v6r-3396000000-ef5f6f946e80cea47e31 |
| Source of Spectrum |
MCS-5-SM9-12b |
| Wiley ID |
1864171 |
