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1,4-Bis(2-hydroxyphenacyl)-1H-1,2,4-triazolium bromide
SpectraBase Compound ID EvJVlfMB4OL
InChI InChI=1S/C18H15N3O4.BrH/c22-15-7-3-1-5-13(15)17(24)9-20-11-19-21(12-20)10-18(25)14-6-2-4-8-16(14)23;/h1-8,11-12H,9-10H2,(H-,22,23,24,25);1H
InChIKey DUYJROHAJGBFCP-UHFFFAOYSA-N
Mol Weight 418.25 g/mol
Molecular Formula C18H16BrN3O4
Exact Mass 417.032419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LGEe8GL1Kk
Name 1,4-Bis(2-hydroxyphenacyl)-1H-1,2,4-triazolium bromide
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Formula C18H16BrN3O4
InChI InChI=1S/C18H15N3O4.BrH/c22-15-7-3-1-5-13(15)17(24)9-20-11-19-21(12-20)10-18(25)14-6-2-4-8-16(14)23;/h1-8,11-12H,9-10H2,(H-,22,23,24,25);1H
InChIKey DUYJROHAJGBFCP-UHFFFAOYSA-N
Molecular Weight 418.247 g/mol
SMILES [Br-].Oc1c(C(C[n]2cn[n+](CC(c3c(cccc3)O)=O)c2)=O)cccc1
SPLASH splash10-0l4l-9610000000-98cfbebda1b433138753
Source of Spectrum O1-55-2066-7
Synonyms 1,4-bis[2-(2-hydroxyphenyl)-2-oxoethyl]-4H-1,2,4-triazol-1-ium bromide 1-(2-hydroxyphenyl)-2-[4-[2-(2-hydroxyphenyl)-2-keto-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide 1-(2-hydroxyphenyl)-2-[4-[2-(2-hydroxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide 1-(2-hydroxyphenyl)-2-[4-[2-(2-hydroxyphenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone bromide 1-(2-hydroxyphenyl)-2-[4-[2-(2-hydroxyphenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-1-yl]ethanone;bromide 1-(2-hydroxyphenyl)-2-[4-[2-(2-hydroxyphenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone;bromide 1-(2-hydroxyphenyl)-2-[4-[2-(2-hydroxyphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-1-yl]ethanone;bromide
Wiley ID 1591353