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2-(2-chloroanilino)-3-nitro-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SpectraBase Compound ID 2Um0H7F60EP
InChI InChI=1S/C11H7ClN6O3/c12-6-3-1-2-4-7(6)14-10-9(18(20)21)8-5-13-15-11(19)17(8)16-10/h1-5H,(H,14,16)(H,15,19)
InChIKey QMJTVKXLDFYCSK-UHFFFAOYSA-N
Mol Weight 306.67 g/mol
Molecular Formula C11H7ClN6O3
Exact Mass 306.026816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59HjMl2rdBc
Name 2-(2-chloroanilino)-3-nitro-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
Appearance Yellow solid
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Exact Mass 306.026815806 u
Formula C11H7ClN6O3
InChI InChI=1S/C11H7ClN6O3/c12-6-3-1-2-4-7(6)14-10-9(18(20)21)8-5-13-15-11(19)17(8)16-10/h1-5H,(H,14,16)(H,15,19)
InChIKey QMJTVKXLDFYCSK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard MS 5989B
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.989
Quality 151
Reported Formula C11H7ClN6O3
SMILES N1N=CC2=C(C(=NN2C1=O)NC1=C(C=CC=C1)Cl)[N+]([O-])=O
SPLASH splash10-00b9-9063000000-0ad558a7bbe97eab12fb
Source of Spectrum ARK-2023-16-P28H7 (DOI: 10.24820/ark.5550190.p011.989)
Wiley ID 1911287