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3-(6-aminopurin-9-yl)-2-methylpropanoic acid ethyl ester
SpectraBase Compound ID 9W3Zd6erV03
InChI InChI=1S/C11H15N5O2/c1-3-18-11(17)7(2)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,3-4H2,1-2H3,(H2,12,13,14)
InChIKey SKXSMDMWHKHOSN-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C11H15N5O2
Exact Mass 249.122575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwXkEld2pPx
Name 3-(6-aminopurin-9-yl)-2-methylpropanoic acid ethyl ester
Alternate Name(s) 3-Adenin-9-yl-2-methyl-propionic acid ethyl ester Ethyl 3-(6-aminopurin-9-yl)-2-methyl-propanoate
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Formula C11H15N5O2
InChI InChI=1S/C11H15N5O2/c1-3-18-11(17)7(2)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,3-4H2,1-2H3,(H2,12,13,14)
InChIKey SKXSMDMWHKHOSN-UHFFFAOYSA-N
Molecular Weight 249.274 g/mol
SMILES Nc1ncnc2[n](CC(C(=O)OCC)C)cnc12
SPLASH splash10-052n-5910000000-cd3f2f96238624e6f95f
Source of Spectrum C5-2005-423-2
Wiley ID 1617992