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9-[4,4-Dimethyl-trans-2,cis-3-bis(hydroxymethyl)cyclobut-r-1-yl]adenine
SpectraBase Compound ID FTSGifkfeXr
InChI InChI=1S/C13H19N5O2/c1-12(2)8(3-13(12,4-19)5-20)18-11-9-10(15-6-14-9)16-7-17-11/h6-8,19-20H,3-5H2,1-2H3,(H2,14,15,16,17,18)/t8-/m1/s1
InChIKey ADMRWMSDMXNFCM-MRVPVSSYSA-N
Mol Weight 277.33 g/mol
Molecular Formula C13H19N5O2
Exact Mass 277.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bM8Fi6xg8
Name 9-[4,4-Dimethyl-trans-2,cis-3-bis(hydroxymethyl)cyclobut-r-1-yl]adenine
Alternate Name(s) [(3R)-1-(hydroxymethyl)-2,2-dimethyl-3-(7H-purin-6-ylamino)cyclobutyl]methanol
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Formula C13H19N5O2
InChI InChI=1S/C13H19N5O2/c1-12(2)8(3-13(12,4-19)5-20)18-11-9-10(15-6-14-9)16-7-17-11/h6-8,19-20H,3-5H2,1-2H3,(H2,14,15,16,17,18)/t8-/m1/s1
InChIKey ADMRWMSDMXNFCM-MRVPVSSYSA-N
Molecular Weight 277.328 g/mol
SMILES N([C@@]1(CC(CO)(C1(C)C)CO)[H])c1c2c(ncn1)nc[nH]2
SPLASH splash10-000f-3910000000-996c70be3e89398db384
Source of Spectrum J-57-598-31
Wiley ID 1280887