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9-(But-1-en-1-yl)-6-chloro-9H-purine

View entire compound with spectra: 1 MS (GC)

9-(But-1-en-1-yl)-6-chloro-9H-purine
SpectraBase Compound ID GLGEDqL6OHL
InChI InChI=1S/C9H9ClN4/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h3-6H,2H2,1H3/b4-3+
InChIKey WDWGTCJXYOPCAH-ONEGZZNKSA-N
Mol Weight 208.65 g/mol
Molecular Formula C9H9ClN4
Exact Mass 208.051574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BitNJF6C6t
Name 9-(But-1-en-1-yl)-6-chloro-9H-purine
Alternate Name(s) (E)-9-(but-1-en-1-yl)-6-chloro-9H-purine 9-[(E)-but-1-enyl]-6-chloropurine 9-[(E)-but-1-enyl]-6-chloranyl-purine
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Formula C9H9ClN4
InChI InChI=1S/C9H9ClN4/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h3-6H,2H2,1H3/b4-3+
InChIKey WDWGTCJXYOPCAH-ONEGZZNKSA-N
Molecular Weight 208.652 g/mol
SMILES c12nc[n](c2ncnc1Cl)\C=C\CC
SPLASH splash10-0a4l-0980000000-a0266d52a514ade8b8e2
Source of Spectrum U1-2013-2017-16a
Wiley ID 1735869