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2-Bromobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID CE3cYuAMHKr
InChI InChI=1S/C16H13BrN4O2/c17-13-9-5-4-6-11(13)10-23-16(22)14-15(18)20-21(19-14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,18,20)
InChIKey RZPFOJWGATTXGL-UHFFFAOYSA-N
Mol Weight 373.21 g/mol
Molecular Formula C16H13BrN4O2
Exact Mass 372.022189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiIaCG3Gji1
Name 2-Bromobenzyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate
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Formula C16H13BrN4O2
InChI InChI=1S/C16H13BrN4O2/c17-13-9-5-4-6-11(13)10-23-16(22)14-15(18)20-21(19-14)12-7-2-1-3-8-12/h1-9H,10H2,(H2,18,20)
InChIKey RZPFOJWGATTXGL-UHFFFAOYSA-N
Molecular Weight 373.210 g/mol
SMILES Nc1c(C(OCc2ccccc2Br)=O)n[n](-c2ccccc2)n1
SPLASH splash10-004i-9400000000-8c6e67e3bf73f2e45c13
Synonyms (2-bromophenyl)methyl 5-amino-2-phenyl-triazole-4-carboxylate (2-bromophenyl)methyl 5-azanyl-2-phenyl-1,2,3-triazole-4-carboxylate 2H-1,2,3-Triazole-4-carboxylic acid, 5-amino-2-phenyl-, (2-bromophenyl)methyl ester 5-Amino-2-phenyl-4-triazolecarboxylic acid (2-bromophenyl)methyl ester 5-Amino-2-phenyl-triazole-4-carboxylic acid (2-bromobenzyl) ester
Wiley ID 1448471