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

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

Dibenzyl-[2-(phenethyl)-9-methyl-9H-purin-6-yl]-amine
SpectraBase Compound ID Alx1HHbSC0P
InChI InChI=1S/C28H27N5/c1-32-21-29-26-27(32)30-25(18-17-22-11-5-2-6-12-22)31-28(26)33(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3
InChIKey HHDHHONBJOXPLQ-UHFFFAOYSA-N
Mol Weight 433.56 g/mol
Molecular Formula C28H27N5
Exact Mass 433.226646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FqabmPuleB
Name Dibenzyl-[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 433.226645889 u
Formula C28H27N5
InChI InChI=1S/C28H27N5/c1-32-21-29-26-27(32)30-25(18-17-22-11-5-2-6-12-22)31-28(26)33(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3
InChIKey HHDHHONBJOXPLQ-UHFFFAOYSA-N
Molecular Weight 433.559 g/mol
SMILES C=12C(N(C)C=N2)=NC(=NC1N(CC=1C=CC=CC1)CC1=CC=CC=C1)CCC1=CC=CC=C1