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(E)-7-(BUT-1-EN-1-YL)-6-CHLORO-7H-PURINE

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(E)-7-(BUT-1-EN-1-YL)-6-CHLORO-7H-PURINE
SpectraBase Compound ID 28W8k7P5dII
InChI InChI=1S/C9H9ClN4/c1-2-3-4-14-6-13-9-7(14)8(10)11-5-12-9/h3-6H,2H2,1H3/b4-3+
InChIKey UBDYKZVRJHHYIF-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 9RKH5WyE1Vk
Name 7-(But-1-en-1-yl)-6-chloro-7H-purine
Alternate Name(s) (E)-7-(but-1-en-1-yl)-6-chloro-7H-purine 7-[(E)-but-1-enyl]-6-chloropurine 7-[(E)-but-1-enyl]-6-chloranyl-purine
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Formula C9H9ClN4
InChI InChI=1S/C9H9ClN4/c1-2-3-4-14-6-13-9-7(14)8(10)11-5-12-9/h3-6H,2H2,1H3/b4-3+
InChIKey UBDYKZVRJHHYIF-ONEGZZNKSA-N
Molecular Weight 208.652 g/mol
SMILES c12nc[n](c2c(Cl)ncn1)\C=C\CC
SPLASH splash10-052f-0970000000-8a28a9735025a1b6c8f0
Source of Spectrum U1-2013-2017-15a
Wiley ID 1735871