For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3E)-4-(4-Chlorophenyl)-N,N-dimethyl-4-(2-pyridyl)but-3-en-1-ammonium trifluoroacetate
SpectraBase Compound ID GJ4Qo77PEEE
InChI InChI=1S/C17H19ClN2.C2HF3O2/c1-20(2)13-5-6-16(17-7-3-4-12-19-17)14-8-10-15(18)11-9-14;3-2(4,5)1(6)7/h3-4,6-12H,5,13H2,1-2H3;(H,6,7)/b16-6+;
InChIKey NCSBDQOBMGFBME-FPUQOWELSA-N
Mol Weight 400.83 g/mol
Molecular Formula C19H20ClF3N2O2
Exact Mass 400.11654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FkfzzO43pyT
Name (3E)-4-(4-Chlorophenyl)-N,N-dimethyl-4-(2-pyridyl)but-3-en-1-ammonium trifluoroacetate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClF3N2O2
InChI InChI=1S/C17H19ClN2.C2HF3O2/c1-20(2)13-5-6-16(17-7-3-4-12-19-17)14-8-10-15(18)11-9-14;3-2(4,5)1(6)7/h3-4,6-12H,5,13H2,1-2H3;(H,6,7)/b16-6+;
InChIKey NCSBDQOBMGFBME-FPUQOWELSA-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(c1ccc(cc1)Cl)=C\CCN(C)C
SPLASH splash10-0173-9280000000-1ff32f08d99f99f9ac6c
Source of Spectrum MCS-5-SM11-14a
Wiley ID 1864176