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1-(.alpha.benzyl-4-bromophenacyl)-3-methyltetrazolium bromide
SpectraBase Compound ID QJvcQSGFZU
InChI InChI=1S/C17H16BrN4O.BrH/c1-21-19-12-22(20-21)16(11-13-5-3-2-4-6-13)17(23)14-7-9-15(18)10-8-14;/h2-10,12,16H,11H2,1H3;1H/q+1;/p-1
InChIKey YYBBJPKGTVWLAE-UHFFFAOYSA-M
Mol Weight 452.15 g/mol
Molecular Formula C17H16Br2N4O
Exact Mass 449.969087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERB7O4FSmGx
Name 1-(.alpha.benzyl-4-bromophenacyl)-3-methyltetrazolium bromide
Alternate Name(s) 4-[1-benzyl-2-(4-bromophenyl)-2-oxoethyl]-2-methyl-4H-tetraazol-2-ium bromide
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Formula C17H16Br2N4O
InChI InChI=1S/C17H16BrN4O.BrH/c1-21-19-12-22(20-21)16(11-13-5-3-2-4-6-13)17(23)14-7-9-15(18)10-8-14;/h2-10,12,16H,11H2,1H3;1H/q+1;/p-1
InChIKey YYBBJPKGTVWLAE-UHFFFAOYSA-M
Molecular Weight 452.150 g/mol
SMILES [Br-].C[n+]1n[n](cn1)C(C(c1ccc(Br)cc1)=O)Cc1ccccc1
SPLASH splash10-000i-0690000000-0a8e3c24fcbd759d2d4d
Source of Spectrum KC-1986-1162-11
Wiley ID 1387552