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1-(4'-Methoxyphenacyl)-4-(4-tolyl)-1,2,4-triazol-1-ium bromide

View entire compound with spectra: 1 MS (GC)

1-(4'-Methoxyphenacyl)-4-(4-tolyl)-1,2,4-triazol-1-ium bromide
SpectraBase Compound ID 8ZXGt1OMmat
InChI InChI=1S/C18H18N3O2.BrH/c1-14-3-7-16(8-4-14)20-12-19-21(13-20)11-18(22)15-5-9-17(23-2)10-6-15;/h3-10,12-13H,11H2,1-2H3;1H/q+1;/p-1
InChIKey ULLDNJNEMOZVQW-UHFFFAOYSA-M
Mol Weight 388.27 g/mol
Molecular Formula C18H18BrN3O2
Exact Mass 387.05824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IGSg3coOlB
Name 1-(4'-Methoxyphenacyl)-4-(4-tolyl)-1,2,4-triazol-1-ium bromide
Alternate Name(s) 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-1-ium bromide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrN3O2
InChI InChI=1S/C18H18N3O2.BrH/c1-14-3-7-16(8-4-14)20-12-19-21(13-20)11-18(22)15-5-9-17(23-2)10-6-15;/h3-10,12-13H,11H2,1-2H3;1H/q+1;/p-1
InChIKey ULLDNJNEMOZVQW-UHFFFAOYSA-M
Molecular Weight 388.265 g/mol
SMILES [Br-].c1n[n+](c[n]1-c1ccc(C)cc1)CC(c1ccc(OC)cc1)=O
SPLASH splash10-0a4i-0009000000-cc10d07bbf9a5de70b45
Source of Spectrum H1-51-2216-3
Wiley ID 817242