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1-Dodecyl-1-methyl-4-(3,4,6-trichloro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-ium bromide
SpectraBase Compound ID AqHZ0uPP7Wo
InChI InChI=1S/C23H36Cl3F3N3.BrH/c1-3-4-5-6-7-8-9-10-11-12-15-32(2)16-13-31(14-17-32)22-20(25)19(24)18(21(26)30-22)23(27,28)29;/h3-17H2,1-2H3;1H/q+1;/p-1
InChIKey IRCCIVLIIQHRSS-UHFFFAOYSA-M
Mol Weight 597.8 g/mol
Molecular Formula C23H36BrCl3F3N3
Exact Mass 595.111029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZgd77b8TTa
Name 1-Dodecyl-1-methyl-4-(3,4,6-trichloro-5-trifluoromethyl-pyridin-2-yl)-piperazin-1-ium bromide
Alternate Name(s) 1-Dodecyl-1-methyl-4-[3,4,6-trichloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-ium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36BrCl3F3N3
InChI InChI=1S/C23H36Cl3F3N3.BrH/c1-3-4-5-6-7-8-9-10-11-12-15-32(2)16-13-31(14-17-32)22-20(25)19(24)18(21(26)30-22)23(27,28)29;/h3-17H2,1-2H3;1H/q+1;/p-1
InChIKey IRCCIVLIIQHRSS-UHFFFAOYSA-M
Molecular Weight 597.820 g/mol
SMILES [Br-].CCCCCCCCCCCC[N+]1(CCN(c2nc(c(c(Cl)c2Cl)C(F)(F)F)Cl)CC1)C
SPLASH splash10-00dl-9020000000-14960500239d1a56f2e4
Wiley ID 1459486