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(5Z)-6-(4-Chlorophenyl)-N,N-dimethyl-6-(2-pyridyl)hex-5-en-1-ammonium trifluoroacetate
SpectraBase Compound ID 4cMaEUtxaJm
InChI InChI=1S/C19H23ClN2.C2HF3O2/c1-22(2)15-7-3-4-8-18(19-9-5-6-14-21-19)16-10-12-17(20)13-11-16;3-2(4,5)1(6)7/h5-6,8-14H,3-4,7,15H2,1-2H3;(H,6,7)/b18-8-;
InChIKey CYBIYDWMGDTGGC-NOILCQHBSA-N
Mol Weight 428.88 g/mol
Molecular Formula C21H24ClF3N2O2
Exact Mass 428.14784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgfxBZrcRjh
Name (5Z)-6-(4-Chlorophenyl)-N,N-dimethyl-6-(2-pyridyl)hex-5-en-1-ammonium trifluoroacetate
Appearance Light brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClF3N2O2
InChI InChI=1S/C19H23ClN2.C2HF3O2/c1-22(2)15-7-3-4-8-18(19-9-5-6-14-21-19)16-10-12-17(20)13-11-16;3-2(4,5)1(6)7/h5-6,8-14H,3-4,7,15H2,1-2H3;(H,6,7)/b18-8-;
InChIKey CYBIYDWMGDTGGC-NOILCQHBSA-N
Instrument Name VG autospec
Ionization Type EI
Literature Reference DOI 10.1021/ml5000228
Molecular Weight 428.883 g/mol
Reported Formula C19H23N2(35)Cl
SMILES OC(C(F)(F)F)=O.c1ccc(nc1)\C(c1ccc(cc1)Cl)=C/CCCCN(C)C
SPLASH splash10-0a4i-9000000000-f57b6c555532251c1f2c
Source of Spectrum MCS-5-SM15-18b
Wiley ID 1864188