| SpectraBase Spectrum ID |
4seTDXXLD9h |
| Name |
(2E)- 3-(3-Chlorophenyl)-N,N-dimethyl-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 |
C18H18ClF3N2O2 |
| InChI |
InChI=1S/C16H17ClN2.C2HF3O2/c1-19(2)11-9-15(16-8-3-4-10-18-16)13-6-5-7-14(17)12-13;3-2(4,5)1(6)7/h3-10,12H,11H2,1-2H3;(H,6,7)/b15-9+; |
| InChIKey |
NZXGAIPYHYZLMG-NSPIFIKESA-N |
| Instrument Name |
VG autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml5000228 |
| Molecular Weight |
386.802 g/mol |
| Reported Formula |
C16H17N2(35)Cl |
| SMILES |
OC(C(F)(F)F)=O.c1ccc(nc1)\C(c1cccc(c1)Cl)=C\CN(C)C |
| SPLASH |
splash10-05dj-8190000000-e288b373ce44bdbe29d7 |
| Source of Spectrum |
MCS-5-SM10-13a |
| Wiley ID |
1864173 |
