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(+-)-trans-9-[2-(Hydroxymethyl)cyclohexyl]adenine
SpectraBase Compound ID 3R8EdjZr4Gj
InChI InChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-4-2-1-3-8(9)5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKey YEJNIDAYLNVPGM-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 IArRhUC3Gkp
Name (+-)-trans-9-[2-(Hydroxymethyl)cyclohexyl]adenine
Alternate Name(s) [(1R,2R)-2-(6-amino-9H-purin-9-yl)cyclohexyl]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)9-4-2-1-3-8(9)5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m0/s1
InChIKey YEJNIDAYLNVPGM-DTWKUNHWSA-N
Molecular Weight 247.302 g/mol
SMILES Nc1c2c([n]([C@]3([C@](CO)(CCCC3)[H])[H])cn2)ncn1
SPLASH splash10-000i-0930000000-ffc76d4518040e72ca91
Source of Spectrum KC-61-477-11
Wiley ID 1627121