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9(1S,2R)-[2-(Hydroxymethyl)cyclopentylmethyl]adenine
SpectraBase Compound ID 3gs6hiZUWa5
InChI InChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)4-8-2-1-3-9(8)5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKey XKKKDGVKVHEOQI-DTWKUNHWSA-N
Mol Weight 247.3 g/mol
Molecular Formula C12H17N5O
Exact Mass 247.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cZ0T3fM0xY
Name 9(1S,2R)-[2-(Hydroxymethyl)cyclopentylmethyl]adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N5O
InChI InChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)4-8-2-1-3-9(8)5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKey XKKKDGVKVHEOQI-DTWKUNHWSA-N
Molecular Weight 247.302 g/mol
SMILES Nc1c2c([n](C[C@]3([C@@](CO)(CCC3)[H])[H])cn2)ncn1
SPLASH splash10-0002-0920000000-4b9fedb30fffc9c8d5d2
Source of Spectrum F2-43-1984-7
Synonyms (+-)-cis-9-[2-(Hydroxymethyl)cyclopentylmethyl]adenine {(1S,2R)-2-[(6-amino-9H-purin-9-yl)methyl]cyclopentyl}methanol
Wiley ID 1600680