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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 LVQNmU75X9V
Name [(1S,2R)-2-[(6-aminopurin-9-yl)methyl]cyclopentyl]methanol
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
Instrument Name VG QMD1000 or VG ZAB2F
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960731)10_10_1316
Molecular Weight 247.302 g/mol
SMILES Nc1c2nc[n](C[C@]3([C@@](CO)(CCC3)[H])[H])c2ncn1
SPLASH splash10-0002-0920000000-1c05d27c841b4070c178
Source of Spectrum RCM-10-1318-10
Wiley ID 1835967