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9-(p-Methoxybenzyl)-6(N)-cyclohexyl-2-phenyl-8-azaadenine
SpectraBase Compound ID 4IGuQrFNcdf
InChI InChI=1S/C24H26N6O/c1-31-20-14-12-17(13-15-20)16-30-24-21(28-29-30)23(25-19-10-6-3-7-11-19)26-22(27-24)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16H2,1H3,(H,25,26,27)
InChIKey RRXXGXPUHHCNGJ-UHFFFAOYSA-N
Mol Weight 414.51 g/mol
Molecular Formula C24H26N6O
Exact Mass 414.216809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ysu8OXCPth
Name 9-(p-Methoxybenzyl)-6(N)-cyclohexyl-2-phenyl-8-azaadenine
Alternate Name(s) N-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-phenyl-7-triazolo[4,5-d]pyrimidinamine N-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-phenyltriazolo[4,5-d]pyrimidin-7-amine N-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-phenyl-triazolo[4,5-d]pyrimidin-7-amine N-cyclohexyl-3-[(4-methoxyphenyl)methyl]-5-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N6O
InChI InChI=1S/C24H26N6O/c1-31-20-14-12-17(13-15-20)16-30-24-21(28-29-30)23(25-19-10-6-3-7-11-19)26-22(27-24)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16H2,1H3,(H,25,26,27)
InChIKey RRXXGXPUHHCNGJ-UHFFFAOYSA-N
Molecular Weight 414.513 g/mol
SMILES N(c1c2c([n](nn2)Cc2ccc(cc2)OC)nc(n1)-c1ccccc1)C1CCCCC1
SPLASH splash10-00di-0900000000-8ac42da55e5ca774f514
Source of Spectrum AJ-41-578-31
Wiley ID 1567563