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9-{(trans)-[1'-Fluoro-2'-(acetoxymethyl)cycloprop-1'-yl]methyl}-adenine
SpectraBase Compound ID C0gBEM6UkYl
InChI InChI=1S/C12H14FN5O2/c1-7(19)20-3-8-2-12(8,13)4-18-6-17-9-10(14)15-5-16-11(9)18/h5-6,8H,2-4H2,1H3,(H2,14,15,16)/t8-,12+/m0/s1
InChIKey QWNIPXOXGBVIIO-QPUJVOFHSA-N
Mol Weight 279.28 g/mol
Molecular Formula C12H14FN5O2
Exact Mass 279.113153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Im5zmxrHPqs
Name 9-{(trans)-[1'-Fluoro-2'-(acetoxymethyl)cycloprop-1'-yl]methyl}-adenine
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Formula C12H14FN5O2
InChI InChI=1S/C12H14FN5O2/c1-7(19)20-3-8-2-12(8,13)4-18-6-17-9-10(14)15-5-16-11(9)18/h5-6,8H,2-4H2,1H3,(H2,14,15,16)/t8-,12+/m0/s1
InChIKey QWNIPXOXGBVIIO-QPUJVOFHSA-N
Molecular Weight 279.275 g/mol
SMILES Nc1c2c([n](cn2)C[C@]2([C@](COC(=O)C)(C2)[H])F)ncn1
SPLASH splash10-0079-4890000000-f16743bdf19d7b29b5b6
Source of Spectrum F5-2-233-7b
Synonyms ((1S,2S)-2-((6-amino-9H-purin-9-yl)methyl)-2-fluorocyclopropyl)methyl acetate Acetic acid [(1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-fluorocyclopropyl]methyl ester [(1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-fluorocyclopropyl]methyl acetate [(1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-fluoro-cyclopropyl]methyl acetate [(1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-fluoranyl-cyclopropyl]methyl ethanoate
Wiley ID 1731707