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3-(4-amino-4H-1,2,4-triazoliumyl)-4H-1-benzopyran-4-one bromide
SpectraBase Compound ID Jv8XebkHBBP
InChI InChI=1S/C11H11N4O2.BrH/c12-14-6-13-15(7-14)9-5-17-10-4-2-1-3-8(10)11(9)16;/h1-4,6-7,9H,5,12H2;1H/q+1;/p-1
InChIKey SWXMVHQTLNDKNV-UHFFFAOYSA-M
Mol Weight 311.14 g/mol
Molecular Formula C11H11BrN4O2
Exact Mass 310.006539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGpHw2UsmfL
Name 3-(4-amino-4H-1,2,4-triazoliumyl)-4H-1-benzopyran-4-one bromide
Alternate Name(s) 2,3-Dihydro-3-(4-amino-4H-1,2,4-triazoliumyl)-4H-1-benzopyran-4-one bromide 2,3-Dihydroxy-3-(4-amino-4H-1,2,4-triazoliumyl)-4H-1-benzopyran-4-one bromide 4-Amino-1-(4-oxo-3,4-dihydro-2H-chromen-3-yl)-4H-1,2,4-triazol-1-ium bromide
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Formula C11H11BrN4O2
InChI InChI=1S/C11H11N4O2.BrH/c12-14-6-13-15(7-14)9-5-17-10-4-2-1-3-8(10)11(9)16;/h1-4,6-7,9H,5,12H2;1H/q+1;/p-1
InChIKey SWXMVHQTLNDKNV-UHFFFAOYSA-M
Molecular Weight 311.139 g/mol
SMILES [Br-].N[n]1c[n+](C2C(c3ccccc3OC2)=O)nc1
SPLASH splash10-00dl-6910000000-c659b6059af2b2701bc9
Source of Spectrum H1-55-2068-10
Wiley ID 1564647