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1-[2'-Nitro-4'-(p-chlorophenyl)]-4-carboxamido-5-amino-1H-1,2,3-triazole
SpectraBase Compound ID DF2QDqY82IP
InChI InChI=1S/C9H7ClN6O3/c10-4-1-2-5(6(3-4)16(18)19)15-8(11)7(9(12)17)13-14-15/h1-3H,11H2,(H2,12,17)
InChIKey JTXIZVVBPDGSSZ-UHFFFAOYSA-N
Mol Weight 282.65 g/mol
Molecular Formula C9H7ClN6O3
Exact Mass 282.026816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGfGIT5ssrJ
Name 1-[2'-Nitro-4'-(p-chlorophenyl)]-4-carboxamido-5-amino-1H-1,2,3-triazole
Alternate Name(s) 5-amino-1-(4-chloro-2-nitrophenyl)-1H-1,2,3-triazole-4-carboxamide 5-amino-1-(4-chloro-2-nitrophenyl)-4-triazolecarboxamide 5-amino-1-(4-chloro-2-nitrophenyl)triazole-4-carboxamide 5-azanyl-1-(4-chloranyl-2-nitro-phenyl)-1,2,3-triazole-4-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C9H7ClN6O3
InChI InChI=1S/C9H7ClN6O3/c10-4-1-2-5(6(3-4)16(18)19)15-8(11)7(9(12)17)13-14-15/h1-3H,11H2,(H2,12,17)
InChIKey JTXIZVVBPDGSSZ-UHFFFAOYSA-N
Molecular Weight 282.647 g/mol
SMILES NC(c1nn[n](c1N)-c1c(N(=O)=O)cc(cc1)Cl)=O
SPLASH splash10-0006-0900000000-12adf912f59b426565b6
Source of Spectrum Y-39-1295-3
Wiley ID 1528713