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(E)-7-(but-1-en-1-yl)-6-chloro-7H-purine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiQnVqqqiII
Name (E)-7-(BUT-1-EN-1-YL)-6-CHLORO-7H-PURINE
Compound Number 15 A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author J.KANIA,L.L.GUNDERSEN
Literature Reference Citation EUR.J.ORG.CHEM.,2013,2008(2013)
Literature Reference DOI 10.1002/ejoc.201201455
Molecular Weight 208.650 g/mol
Solvent CDCl3
Source File Reference UWBT17682