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9-{2-[(Hydroxymethyl)cyclohex-1-en-1-yl]methyl}adenine
SpectraBase Compound ID EkR4SgoYITx
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/h7-8,19H,1-6H2,(H2,14,15,16)
InChIKey ANFNZNOHWOYZAC-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 8bvd9LoX0u
Name 9-{2-[(Hydroxymethyl)cyclohex-1-en-1-yl]methyl}adenine
Alternate Name(s) [2-[(6-aminopurin-9-yl)methyl]-1-cyclohexenyl]methanol [2-[(6-aminopurin-9-yl)methyl]cyclohexen-1-yl]methanol
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/h7-8,19H,1-6H2,(H2,14,15,16)
InChIKey ANFNZNOHWOYZAC-UHFFFAOYSA-N
Molecular Weight 259.313 g/mol
SMILES Nc1c2c([n](CC3=C(CO)CCCC3)cn2)ncn1
SPLASH splash10-000i-0900000000-7513f649549c9b9dc6bf
Source of Spectrum J-65-5184-46
Wiley ID 1533021