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7-[(1,3-dimethyl-2-benzimidazol-3-iumyl)methyl]-6-nitro-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SpectraBase Compound ID AGUDqIPqJBs
InChI InChI=1S/C15H16N7O2/c1-19-10-5-3-4-6-11(10)20(2)14(19)7-12-13(22(23)24)8-16-15-17-9-18-21(12)15/h3-6,8-9,12H,7H2,1-2H3,(H,16,17,18)/q+1
InChIKey PAVCZAFHNVZBTE-UHFFFAOYSA-N
Mol Weight 326.34 g/mol
Molecular Formula C15H16N7O2
Exact Mass 326.136548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FkXsTAb5s
Name 7-[(1,3-dimethyl-2-benzimidazol-3-iumyl)methyl]-6-nitro-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Alternate Name(s) 7-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methyl]-6-nitro-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N7O2
InChI InChI=1S/C15H16N7O2/c1-19-10-5-3-4-6-11(10)20(2)14(19)7-12-13(22(23)24)8-16-15-17-9-18-21(12)15/h3-6,8-9,12H,7H2,1-2H3,(H,16,17,18)/q+1
InChIKey PAVCZAFHNVZBTE-UHFFFAOYSA-N
Molecular Weight 326.340 g/mol
SMILES N1C=C(C([n]2c1ncn2)Cc1[n+](c2ccccc2[n]1C)C)N(=O)=O
SPLASH splash10-02ta-3900000000-62c78efe8f51b73a9df8
Wiley ID 1453557