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2,6-Diamino-N(9)-ethynylpurine
SpectraBase Compound ID I2iYGJMiU1W
InChI InChI=1S/C7H6N6/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h1,3H,(H4,8,9,11,12)
InChIKey GMLJVVZRJSWAFW-UHFFFAOYSA-N
Mol Weight 174.17 g/mol
Molecular Formula C7H6N6
Exact Mass 174.065394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KBQSYiCbS0
Name 2,6-Diamino-N(9)-ethynylpurine
Alternate Name(s) 2-amino-9-ethynyl-9H-purin-6-ylamine 9-ethynyl-9H-purine-2,6-diamine
Comments Less than 3 mono-isotopic peaks
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Formula C7H6N6
InChI InChI=1S/C7H6N6/c1-2-13-3-10-4-5(8)11-7(9)12-6(4)13/h1,3H,(H4,8,9,11,12)
InChIKey GMLJVVZRJSWAFW-UHFFFAOYSA-N
Molecular Weight 174.167 g/mol
SMILES Nc1nc(nc2c1nc[n]2C#C)N
SPLASH splash10-00di-0900000000-7ec7c2a9d66731c03d2f
Source of Spectrum KC-0-1096-31
Wiley ID 781239