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3-(p-nitrophenyl)-8-methyl-6H-thiazolo[3,2-f]xanthine
SpectraBase Compound ID 7LiykSFy38N
InChI InChI=1S/C14H9N5O4S/c1-7-6-24-18-10-11(15-12(7)18)16-14(21)17(13(10)20)8-2-4-9(5-3-8)19(22)23/h2-6H,1H3,(H,16,21)
InChIKey DRPNHXSXCCCGIQ-UHFFFAOYSA-N
Mol Weight 343.32 g/mol
Molecular Formula C14H9N5O4S
Exact Mass 343.037525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqQ5bkRAHBJ
Name 3-(p-nitrophenyl)-8-methyl-6H-thiazolo[3,2-f]xanthine
Alternate Name(s) 8-Methyl-3-(p-nitrophenyl)-6H-thiazolo[3,2-f]xanthine 8-Methyl-3-(4-nitrophenyl)isothiazolo[3,2-f]purine-2,4(1H,3H)-dione
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Formula C14H9N5O4S
InChI InChI=1S/C14H9N5O4S/c1-7-6-24-18-10-11(15-12(7)18)16-14(21)17(13(10)20)8-2-4-9(5-3-8)19(22)23/h2-6H,1H3,(H,16,21)
InChIKey DRPNHXSXCCCGIQ-UHFFFAOYSA-N
Molecular Weight 343.317 g/mol
SMILES N1C(N(C(c2c1nc1[n]2SC=C1C)=O)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0006-2349000000-fa7b6ee94fa5d41974b6
Source of Spectrum HC-23-1231-0
Wiley ID 1337127