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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 JMouheCcMVl
Name (1R,2S)-9-[2-(Hydroxymethyl)cyclopentylmethyl]hypoxanthine
Alternate Name(s) (+-)-cis-9-[2-(Hydroxymethyl)cyclopentylmethyl]hypoxanthine 9-{[(1R,2S)-2-(hydroxymethyl)cyclopentyl]methyl}-9H-purin-6-ol
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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
Molecular Weight 248.286 g/mol
SMILES Oc1c2c([n](C[C@]3([C@@](CO)(CCC3)[H])[H])cn2)ncn1
SPLASH splash10-000i-1910000000-4be1bc0036cf07108fbe
Source of Spectrum F2-43-1984-8
Wiley ID 1600677