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3-(6-Amino-9H-purin-9-yl)propyl acetate

View entire compound with spectra: 1 MS (GC)

3-(6-Amino-9H-purin-9-yl)propyl acetate
SpectraBase Compound ID 40ABoOgwuTs
InChI InChI=1S/C10H13N5O2/c1-7(16)17-4-2-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKey UMQCBOPIPHSVMU-UHFFFAOYSA-N
Mol Weight 235.25 g/mol
Molecular Formula C10H13N5O2
Exact Mass 235.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKpzFUmW7Cm
Name 3-(6-Amino-9H-purin-9-yl)propyl acetate
Alternate Name(s) 3-(6-aminopurin-9-yl)propyl acetate 3-(6-aminopurin-9-yl)propyl ethanoate Acetic acid 3-(6-aminopurin-9-yl)propyl ester Acetic acid 3-adenin-9-ylpropyl ester
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Formula C10H13N5O2
InChI InChI=1S/C10H13N5O2/c1-7(16)17-4-2-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4H2,1H3,(H2,11,12,13)
InChIKey UMQCBOPIPHSVMU-UHFFFAOYSA-N
Molecular Weight 235.247 g/mol
SMILES Nc1c2nc[n](c2ncn1)CCCOC(=O)C
SPLASH splash10-000g-3900000000-e07df8cba4e61896756e
Wiley ID 1438564