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4-Amino-8-bromo-7-methylpyrazolo[3,2-c][1,2,4]triazin-3-ylphosphonic acid diethyl ester
SpectraBase Compound ID DbPVQkk4p92
InChI InChI=1S/C10H15BrN5O3P/c1-4-18-20(17,19-5-2)10-8(12)16-9(13-14-10)7(11)6(3)15-16/h4-5,12H2,1-3H3
InChIKey ZGKIONWINOQWLK-UHFFFAOYSA-N
Mol Weight 364.14 g/mol
Molecular Formula C10H15BrN5O3P
Exact Mass 363.009589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzOwuveuw88
Name 4-Amino-8-bromo-7-methylpyrazolo[3,2-c][1,2,4]triazin-3-ylphosphonic acid diethyl ester
Alternate Name(s) 8-Bromo-3-diethoxyphosphoryl-7-methyl-4-pyrazolo[5,1-c][1,2,4]triazinamine 8-Bromo-3-diethoxyphosphoryl-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-amine 8-Bromo-3-diethoxyphosphoryl-7-methyl-pyrazolo[5,1-c][1,2,4]triazin-4-amine 8-Bromanyl-3-diethoxyphosphoryl-7-methyl-pyrazolo[5,1-c][1,2,4]triazin-4-amine
Comments Note: The molecular formula of the structure shown is C10H15BrN5O3P - which differs from the formula reported for the mass spectrum (C12H19BrN5O3P)
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Formula C12H19BrN5O3P
InChI InChI=1S/C10H15BrN5O3P/c1-4-18-20(17,19-5-2)10-8(12)16-9(13-14-10)7(11)6(3)15-16/h4-5,12H2,1-3H3
InChIKey ZGKIONWINOQWLK-UHFFFAOYSA-N
Molecular Weight 364.140 g/mol
SMILES NC1=C(P(OCC)(OCC)=O)N=Nc2[n]1nc(c2Br)C
SPLASH splash10-0006-9368000000-d17b266184caa27e0a6a
Source of Spectrum H1-51-540-20
Wiley ID 817093