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

*Links on SpectraBase are not permalinks.
(2E)- 3-(3-Chlorophenyl)-N,N-dimethyl-3-(2-pyridyl)prop-2-en-1-ammonium trifluoroacetate
SpectraBase Compound ID HvECUnZOgBg
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
Mol Weight 386.8 g/mol
Molecular Formula C18H18ClF3N2O2
Exact Mass 386.10089 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 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