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8-(2,4-Dinitro-phenylsulfanyl)-9H-purin-6-ylamine
SpectraBase Compound ID HIRGG5hn63K
InChI InChI=1S/C11H7N7O4S/c12-9-8-10(14-4-13-9)16-11(15-8)23-7-2-1-5(17(19)20)3-6(7)18(21)22/h1-4H,(H3,12,13,14,15,16)
InChIKey XODWXTLRCXECTL-UHFFFAOYSA-N
Mol Weight 333.28 g/mol
Molecular Formula C11H7N7O4S
Exact Mass 333.028023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CPMNeOaHiV
Name 8-(2,4-Dinitro-phenylsulfanyl)-9H-purin-6-ylamine
Alternate Name(s) 8-(2,4-dinitrophenyl)sulfanyl-7H-purin-6-amine 8-[(2,4-Dinitrophenyl)sulfanyl]-9H-purin-6-amine 8-[(2,4-dinitrophenyl)thio]-7H-purin-6-amine [8-[(2,4-dinitrophenyl)thio]-7H-purin-6-yl]amine
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Formula C11H7N7O4S
InChI InChI=1S/C11H7N7O4S/c12-9-8-10(14-4-13-9)16-11(15-8)23-7-2-1-5(17(19)20)3-6(7)18(21)22/h1-4H,(H3,12,13,14,15,16)
InChIKey XODWXTLRCXECTL-UHFFFAOYSA-N
Molecular Weight 333.282 g/mol
SMILES [nH]1c2c(c(ncn2)N)nc1Sc1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0uec-3910000000-cc408380ccffdf2b0beb
Wiley ID 1448038