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3-(6-aminopurin-9-yl)propanoic acid butyl ester
SpectraBase Compound ID 9RaAXHZZ7KN
InChI InChI=1S/C12H17N5O2/c1-2-3-6-19-9(18)4-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKey WTIZUZJAJXFTEO-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C12H17N5O2
Exact Mass 263.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pz4Nn6a4gA
Name 3-(6-aminopurin-9-yl)propanoic acid butyl ester
Alternate Name(s) 3-Adenin-9-ylpropionic acid butyl ester Butyl 3-(6-aminopurin-9-yl)propanoate
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Formula C12H17N5O2
InChI InChI=1S/C12H17N5O2/c1-2-3-6-19-9(18)4-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKey WTIZUZJAJXFTEO-UHFFFAOYSA-N
Molecular Weight 263.301 g/mol
SMILES Nc1ncnc2[n](CCC(=O)OCCCC)cnc12
SPLASH splash10-03di-3930000000-68549296472223384fd6
Source of Spectrum C5-2005-423-2
Wiley ID 1617993