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8-Benzyl-6-phenyl-9-(tetrahydropyran-2-yl)purine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8-Benzyl-6-phenyl-9-(tetrahydropyran-2-yl)purine
SpectraBase Compound ID BuqYfy5GaXX
InChI InChI=1S/C23H22N4O/c1-3-9-17(10-4-1)15-19-26-22-21(18-11-5-2-6-12-18)24-16-25-23(22)27(19)20-13-7-8-14-28-20/h1-6,9-12,16,20H,7-8,13-15H2
InChIKey WKNYMFIKJGMTQQ-UHFFFAOYSA-N
Mol Weight 370.46 g/mol
Molecular Formula C23H22N4O
Exact Mass 370.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qoPdnzlLWo
Name 8-Benzyl-6-phenyl-9-(tetrahydropyran-2-yl)purine
Comments Computed using HOSE algorithm
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Exact Mass 370.179361343 u
Formula C23H22N4O
InChI InChI=1S/C23H22N4O/c1-3-9-17(10-4-1)15-19-26-22-21(18-11-5-2-6-12-18)24-16-25-23(22)27(19)20-13-7-8-14-28-20/h1-6,9-12,16,20H,7-8,13-15H2
InChIKey WKNYMFIKJGMTQQ-UHFFFAOYSA-N
Molecular Weight 370.456 g/mol
SMILES C=12N(C(=NC2=C(C=2C=CC=CC2)N=CN1)CC=1C=CC=CC1)C1OCCCC1