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2'-O-Acetyl-3'-deoxyadenosine
SpectraBase Compound ID KLkkc96Hvfx
InChI InChI=1S/C12H15N5O4/c1-6(19)20-8-2-7(3-18)21-12(8)17-5-16-9-10(13)14-4-15-11(9)17/h4-5,7-8,12,18H,2-3H2,1H3,(H2,13,14,15)/t7-,8+,12+/m0/s1
InChIKey SXOBNECEVIYBHF-JOAULVNJSA-N
Mol Weight 293.28 g/mol
Molecular Formula C12H15N5O4
Exact Mass 293.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Bv8Ml2Wdse
Name 2'-O-Acetyl-3'-deoxyadenosine
Alternate Name(s) (2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl acetate Acetic acid[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanyl]ester Acetic acid[(2R,3R,5S)-2-adenin-9-yl-5-methylol-tetrahydrofuran-3-yl]ester [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]acetate [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]ethanoate [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl]acetate Acetic acid [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanyl] ester [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] acetate [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl] acetate [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl] ethanoate
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Formula C12H15N5O4
InChI InChI=1S/C12H15N5O4/c1-6(19)20-8-2-7(3-18)21-12(8)17-5-16-9-10(13)14-4-15-11(9)17/h4-5,7-8,12,18H,2-3H2,1H3,(H2,13,14,15)/t7-,8+,12+/m0/s1
InChIKey SXOBNECEVIYBHF-JOAULVNJSA-N
Molecular Weight 293.283 g/mol
SMILES Nc1c2c([n]([C@@]3(O[C@](CO)(C[C@]3(OC(=O)C)[H])[H])[H])cn2)ncn1
SPLASH splash10-03dr-0920000000-8149a99b884ea103578e
Source of Spectrum E1-40-1615-18
Wiley ID 1599282