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(1R,2S)-9-[2-(Hydroxymethyl)cyclopentylmethyl]hypoxanthine
SpectraBase Compound ID 5gocNIWgJZq
InChI InChI=1S/C12H16N4O2/c17-5-9-3-1-2-8(9)4-16-7-15-10-11(16)13-6-14-12(10)18/h6-9,17H,1-5H2,(H,13,14,18)/t8-,9+/m0/s1
InChIKey VUTZTYWHHOKOPI-DTWKUNHWSA-N
Mol Weight 248.29 g/mol
Molecular Formula C12H16N4O2
Exact Mass 248.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OoVanNMA1A
Name 9-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]methyl]purin-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O2
InChI InChI=1S/C12H16N4O2/c17-5-9-3-1-2-8(9)4-16-7-15-10-11(16)13-6-14-12(10)18/h6-9,17H,1-5H2,(H,13,14,18)/t8-,9+/m0/s1
InChIKey VUTZTYWHHOKOPI-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 248.286 g/mol
SMILES Oc1c2nc[n](C[C@]3([C@@](CO)(CCC3)[H])[H])c2ncn1
SPLASH splash10-000j-0920000000-0e6c0e29e886dd6bc1e3
Source of Spectrum RCM-10-1318-8
Wiley ID 1835972