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7-[(2-CHLOROETHOXY)-METHYL]-ADENINE

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7-[(2-CHLOROETHOXY)-METHYL]-ADENINE
SpectraBase Compound ID 4WYOfUi7vgY
InChI InChI=1S/C8H10ClN5O/c9-1-2-15-5-14-4-13-8-6(14)7(10)11-3-12-8/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKey NQPFYXKRBLBAHY-UHFFFAOYSA-N
Mol Weight 227.65 g/mol
Molecular Formula C8H10ClN5O
Exact Mass 227.057388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtZrFgLHm8S
Name 7-[(2-CHLOROETHOXY)-METHYL]-ADENINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10ClN5O
InChI InChI=1S/C8H10ClN5O/c9-1-2-15-5-14-4-13-8-6(14)7(10)11-3-12-8/h3-4H,1-2,5H2,(H2,10,11,12)
InChIKey NQPFYXKRBLBAHY-UHFFFAOYSA-N
Literature Reference Author G.H.HAKIMELAHI,T.W.LY,A.A.MOOSAVI-MOVAHEDI,M.L.JAIN,M.ZAKERI NIA,H.DAVARI,H.C.MEI
Literature Reference Citation J.MED.CHEM.,44,3710(2001)
Literature Reference DOI 10.1021/jm010216r
Molecular Weight 227.653 g/mol
Sample ID 45115
Solvent DMSO-D6