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2-(4-Bromophenylamino)-1,2-di(1H-benzo[d][1,2,3]-triazol-1-yl)ethanone
SpectraBase Compound ID CTfZzEmxWgg
InChI InChI=1S/C20H14BrN7O/c21-13-9-11-14(12-10-13)22-19(27-17-7-3-1-5-15(17)23-25-27)20(29)28-18-8-4-2-6-16(18)24-26-28/h1-12,19,22H
InChIKey KLFYLGNZSLLUPY-UHFFFAOYSA-N
Mol Weight 448.28 g/mol
Molecular Formula C20H14BrN7O
Exact Mass 447.044321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RVy2tuTnpp
Name 2-(4-Bromophenylamino)-1,2-di(1H-benzo[d][1,2,3]-triazol-1-yl)ethanone
Appearance Yellow needles
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Formula C20H14BrN7O
InChI InChI=1S/C20H14BrN7O/c21-13-9-11-14(12-10-13)22-19(27-17-7-3-1-5-15(17)23-25-27)20(29)28-18-8-4-2-6-16(18)24-26-28/h1-12,19,22H
InChIKey KLFYLGNZSLLUPY-UHFFFAOYSA-N
Instrument Name Shimadzu Japan QP2010 S
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2011.01.029
Molecular Weight 448.284 g/mol
SMILES N(c1ccc(Br)cc1)C(C(=O)[n]1nnc2c1cccc2)[n]1c2ccccc2nn1
SPLASH splash10-0abc-9602100000-bc0770cb105121498320
Source of Spectrum AJC-7-902-8c
Wiley ID 1857033