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9-{[3-(Hydroxymethyl)cyclohex-1-en-2-yl]methyl}adenine
SpectraBase Compound ID DufV2MAKYLo
InChI InChI=1S/C13H17N5O/c14-12-11-13(16-7-15-12)18(8-17-11)5-9-3-1-2-4-10(9)6-19/h3,7-8,10,19H,1-2,4-6H2,(H2,14,15,16)
InChIKey HRSVHZDYKIDRCB-UHFFFAOYSA-N
Mol Weight 259.31 g/mol
Molecular Formula C13H17N5O
Exact Mass 259.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zso6oJtmQz
Name 9-{[3-(Hydroxymethyl)cyclohex-1-en-2-yl]methyl}adenine
Comments Less than 3 mono-isotopic peaks
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Formula C13H17N5O
InChI InChI=1S/C13H17N5O/c14-12-11-13(16-7-15-12)18(8-17-11)5-9-3-1-2-4-10(9)6-19/h3,7-8,10,19H,1-2,4-6H2,(H2,14,15,16)
InChIKey HRSVHZDYKIDRCB-UHFFFAOYSA-N
Molecular Weight 259.313 g/mol
SMILES Nc1ncnc2[n](CC=3C(CO)CCCC3)cnc12
SPLASH splash10-004i-0090000000-08a517144b643099200d
Source of Spectrum J-65-5184-54
Synonyms {2-[(6-amino-9H-purin-9-yl)methyl]-2-cyclohexen-1-yl}methanol [2-[(6-aminopurin-9-yl)methyl]-1-cyclohex-2-enyl]methanol [2-[(6-aminopurin-9-yl)methyl]cyclohex-2-en-1-yl]methanol
Wiley ID 1533018