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Benzoic acid, 4-(4H-1,2,4-triazol-4-yl)-, [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester
SpectraBase Compound ID GTX4cRqBUBt
InChI InChI=1S/C15H16N8O2/c1-22(2)15-20-12(19-14(16)21-15)7-25-13(24)10-3-5-11(6-4-10)23-8-17-18-9-23/h3-6,8-9H,7H2,1-2H3,(H2,16,19,20,21)
InChIKey GEHZJNMZLQKLDL-UHFFFAOYSA-N
Mol Weight 340.35 g/mol
Molecular Formula C15H16N8O2
Exact Mass 340.139622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1S92yfinyDc
Name Benzoic acid, 4-(4H-1,2,4-triazol-4-yl)-, [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester
Alternate Name(s) [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-(1,2,4-triazol-4-yl)benzoate [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-(4H-1,2,4-triazol-4-yl)benzoate [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 4-(1,2,4-triazol-4-yl)benzoate 4-(1,2,4-triazol-4-yl)benzoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester
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Formula C15H16N8O2
InChI InChI=1S/C15H16N8O2/c1-22(2)15-20-12(19-14(16)21-15)7-25-13(24)10-3-5-11(6-4-10)23-8-17-18-9-23/h3-6,8-9H,7H2,1-2H3,(H2,16,19,20,21)
InChIKey GEHZJNMZLQKLDL-UHFFFAOYSA-N
Molecular Weight 340.347 g/mol
SMILES Nc1nc(nc(COC(c2ccc(cc2)-[n]2cnnc2)=O)n1)N(C)C
SPLASH splash10-0f6x-3904000000-701483823198b5930ab8
Wiley ID 1448871