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9-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]methyl]-3H-purin-6-one
SpectraBase Compound ID FBhA1pV48tm
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-IUCAKERBSA-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 DTRiESPa5CC
Name 9-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]methyl]-3H-purin-6-one
Alternate Name(s) 9-[[(1R,2R)-2-methylolcyclopentyl]methyl]-3H-purin-6-one
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-IUCAKERBSA-N
Molecular Weight 248.286 g/mol
SMILES Oc1c2c([n](C[C@]3([C@](CO)(CCC3)[H])[H])cn2)ncn1
SPLASH splash10-000j-0910000000-273d48a45481a187cb45
Source of Spectrum F2-43-1984-8
Wiley ID 1600676