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6-[6'-Hydroxy-1'-hexyn-1'-yl]-1H-purine
SpectraBase Compound ID AZGwyM8kkz6
InChI InChI=1S/C11H12N4O/c16-6-4-2-1-3-5-9-10-11(14-7-12-9)15-8-13-10/h7-8,16H,1-2,4,6H2,(H,12,13,14,15)
InChIKey SQVTWOVZGCAZDB-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C11H12N4O
Exact Mass 216.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbYSSjHofxC
Name 6-[6'-Hydroxy-1'-hexyn-1'-yl]-1H-purine
Alternate Name(s) 6-(9H-purin-6-yl)-5-hexyn-1-ol 6-[5'-Hydroxy-1'-pentyn-1'-yl]-1H-purine 6-(7H-purin-6-yl)-5-hexyn-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C11H12N4O
InChI InChI=1S/C11H12N4O/c16-6-4-2-1-3-5-9-10-11(14-7-12-9)15-8-13-10/h7-8,16H,1-2,4,6H2,(H,12,13,14,15)
InChIKey SQVTWOVZGCAZDB-UHFFFAOYSA-N
Molecular Weight 216.244 g/mol
SMILES [nH]1cnc2c(C#CCCCCO)ncnc12
SPLASH splash10-00xr-0950000000-b73ee401c660f9847258
Source of Spectrum H-2005-4993-10
Wiley ID 1588037