| SpectraBase Spectrum ID |
14kzrbHzpLy |
| Name |
4E)-5-(4-Chlorophenyl)-N,N-dimethyl-5-(2-pyridyl)pent-4-en-1-ammonium trifluoroacetate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22ClF3N2O2 |
| InChI |
InChI=1S/C18H21ClN2.C2HF3O2/c1-21(2)14-6-4-7-17(18-8-3-5-13-20-18)15-9-11-16(19)12-10-15;3-2(4,5)1(6)7/h3,5,7-13H,4,6,14H2,1-2H3;(H,6,7)/b17-7+; |
| InChIKey |
HDDLFWAPTFJGNG-VYYXIRCESA-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\CCCN(C)C |
| SPLASH |
splash10-0pdl-5092000000-11c4939de73cd68a3fea |
| Source of Spectrum |
MCS-5-SM14-17a |
| Wiley ID |
1864184 |
