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9-{2-[(1-Benzyloxymethyl)cyclohex-1-en-1-yl]methyl}adenine
SpectraBase Compound ID Kz1MtHVGEpm
InChI InChI=1S/C20H23N5O/c21-19-18-20(23-13-22-19)25(14-24-18)10-16-8-4-5-9-17(16)12-26-11-15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H2,21,22,23)
InChIKey XZQIWCFIEXQRBV-UHFFFAOYSA-N
Mol Weight 349.44 g/mol
Molecular Formula C20H23N5O
Exact Mass 349.19026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAAbcHyyvmz
Name 9-{2-[(1-Benzyloxymethyl)cyclohex-1-en-1-yl]methyl}adenine
Comments Less than 3 mono-isotopic peaks
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Formula C20H23N5O
InChI InChI=1S/C20H23N5O/c21-19-18-20(23-13-22-19)25(14-24-18)10-16-8-4-5-9-17(16)12-26-11-15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H2,21,22,23)
InChIKey XZQIWCFIEXQRBV-UHFFFAOYSA-N
Molecular Weight 349.438 g/mol
SMILES Nc1c2c([n](cn2)CC2=C(COCc3ccccc3)CCCC2)ncn1
SPLASH splash10-0006-9000000000-926c25cff9a421feb25c
Source of Spectrum J-65-5184-45
Synonyms 9-[[2-(phenylmethoxymethyl)-1-cyclohexenyl]methyl]-6-purinamine 9-[[2-(benzyloxymethyl)cyclohexen-1-yl]methyl]purin-6-amine 9-[[2-(phenylmethoxymethyl)cyclohexen-1-yl]methyl]purin-6-amine
Wiley ID 1533022