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2-Chloro-6-benzylamino-9-(2-propynyl)purine
SpectraBase Compound ID JUe03caBlhj
InChI InChI=1S/C15H12ClN5/c1-2-8-21-10-18-12-13(19-15(16)20-14(12)21)17-9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,17,19,20)
InChIKey HGIZRNAURBQLLC-UHFFFAOYSA-N
Mol Weight 297.75 g/mol
Molecular Formula C15H12ClN5
Exact Mass 297.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AImoXHDQpAF
Name 2-Chloro-6-benzylamino-9-(2-propynyl)purine
Appearance Off-white solid
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Formula C15H12ClN5
InChI InChI=1S/C15H12ClN5/c1-2-8-21-10-18-12-13(19-15(16)20-14(12)21)17-9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,17,19,20)
InChIKey HGIZRNAURBQLLC-UHFFFAOYSA-N
Instrument Name Hewlett Packard HPs 5890 GCMS
Ionization Type EI
Molecular Weight 297.749 g/mol
SMILES N(c1nc(nc2[n](cnc12)CC#C)Cl)Cc1ccccc1
SPLASH splash10-0005-6090000000-d1dc808a57d6e7a7295f
Source of Spectrum WO2012051296A2
Wiley ID 1845378