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1H-1,2,4-Triazole, 1-(3-bromobenzyl)-3-nitro-

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1H-1,2,4-Triazole, 1-(3-bromobenzyl)-3-nitro-
SpectraBase Compound ID LiZrrAiFGdC
InChI InChI=1S/C9H7BrN4O2/c10-8-3-1-2-7(4-8)5-13-6-11-9(12-13)14(15)16/h1-4,6H,5H2
InChIKey IVVDDPDKUYBVNJ-UHFFFAOYSA-N
Mol Weight 283.09 g/mol
Molecular Formula C9H7BrN4O2
Exact Mass 281.975238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mxivRsiau
Name 1H-1,2,4-Triazole, 1-(3-bromobenzyl)-3-nitro-
Alternate Name(s) 1-(3-bromobenzyl)-3-nitro-1,2,4-triazole 1-(3-Bromobenzyl)-3-nitro-1H-1,2,4-triazole 1-[(3-bromophenyl)methyl]-3-nitro-1,2,4-triazole
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Formula C9H7BrN4O2
InChI InChI=1S/C9H7BrN4O2/c10-8-3-1-2-7(4-8)5-13-6-11-9(12-13)14(15)16/h1-4,6H,5H2
InChIKey IVVDDPDKUYBVNJ-UHFFFAOYSA-N
Molecular Weight 283.085 g/mol
SMILES c1(nc[n](n1)Cc1cc(Br)ccc1)N(=O)=O
SPLASH splash10-00sr-5970000000-8a20bb3d8793b68a2f3e
Wiley ID 1457532