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Dibenzyl-[8-bromo-2-(phenethyl)-9-methyl-9H-purin-6-yl]-amine

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Dibenzyl-[8-bromo-2-(phenethyl)-9-methyl-9H-purin-6-yl]-amine
SpectraBase Compound ID BVXEUhy0grU
InChI InChI=1S/C28H26BrN5/c1-33-26-25(32-28(33)29)27(31-24(30-26)18-17-21-11-5-2-6-12-21)34(19-22-13-7-3-8-14-22)20-23-15-9-4-10-16-23/h2-16H,17-20H2,1H3
InChIKey HFHKWJJPNKOAHT-UHFFFAOYSA-N
Mol Weight 512.46 g/mol
Molecular Formula C28H26BrN5
Exact Mass 511.137159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Lxk7ead7uT
Name Dibenzyl-[8-bromo-2-(phenethyl)-9-methyl-9H-purin-6-yl]-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.137158857 u
Formula C28H26BrN5
InChI InChI=1S/C28H26BrN5/c1-33-26-25(32-28(33)29)27(31-24(30-26)18-17-21-11-5-2-6-12-21)34(19-22-13-7-3-8-14-22)20-23-15-9-4-10-16-23/h2-16H,17-20H2,1H3
InChIKey HFHKWJJPNKOAHT-UHFFFAOYSA-N
Molecular Weight 512.455 g/mol
SMILES C=12C(N(C)C(=N2)Br)=NC(=NC1N(CC1=CC=CC=C1)CC1=CC=CC=C1)CCC=1C=CC=CC1