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1,4-Bis(4-chloro-2-hydroxyphenacyl)-1H-1,2,4-triazolium bromide
SpectraBase Compound ID LsNQCfOdOsu
InChI InChI=1S/C18H13Cl2N3O4.BrH/c19-11-1-3-13(15(24)5-11)17(26)7-22-9-21-23(10-22)8-18(27)14-4-2-12(20)6-16(14)25;/h1-6,9-10H,7-8H2,(H-,24,25,26,27);1H
InChIKey QSGFWKCROPZRJX-UHFFFAOYSA-N
Mol Weight 487.14 g/mol
Molecular Formula C18H14BrCl2N3O4
Exact Mass 484.954474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZgajFKETEi
Name 1,4-Bis(4-chloro-2-hydroxyphenacyl)-1H-1,2,4-triazolium bromide
Alternate Name(s) 1,4-bis[2-(4-chloro-2-hydroxyphenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium bromide 1-(4-Chloranyl-2-oxidanyl-phenyl)-2-[4-[2-(4-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide 1-(4-Chloro-2-hydroxy-phenyl)-2-[4-[2-(4-chloro-2-hydroxy-phenyl)-2-keto-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide 1-(4-Chloro-2-hydroxy-phenyl)-2-[4-[2-(4-chloro-2-hydroxy-phenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide 1-(4-Chloro-2-hydroxyphenyl)-2-[4-[2-(4-chloro-2-hydroxyphenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]ethanone;bromide 1-(4-Chloro-2-hydroxy-phenyl)-2-[4-[2-(4-chloro-2-hydroxy-phenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone;bromide 1-(4-Chloranyl-2-oxidanyl-phenyl)-2-[4-[2-(4-chloranyl-2-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone;bromide
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Formula C18H14BrCl2N3O4
InChI InChI=1S/C18H13Cl2N3O4.BrH/c19-11-1-3-13(15(24)5-11)17(26)7-22-9-21-23(10-22)8-18(27)14-4-2-12(20)6-16(14)25;/h1-6,9-10H,7-8H2,(H-,24,25,26,27);1H
InChIKey QSGFWKCROPZRJX-UHFFFAOYSA-N
Molecular Weight 487.137 g/mol
SMILES [Br-].Oc1c(C(C[n]2c[n+](CC(c3c(cc(cc3)Cl)O)=O)cn2)=O)ccc(c1)Cl
SPLASH splash10-0a59-9800000000-2fdea6f3e207534f1407
Source of Spectrum O1-55-2066-7
Wiley ID 1591352