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Endo-9-benzyl-6-(bicyclo[2,2,2]oct-5-en-2-yl)-9H-purine

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

Endo-9-benzyl-6-(bicyclo[2,2,2]oct-5-en-2-yl)-9H-purine
SpectraBase Compound ID IzTB9wkGGqP
InChI InChI=1S/C20H20N4/c1-2-4-15(5-3-1)11-24-13-23-19-18(21-12-22-20(19)24)17-10-14-6-8-16(17)9-7-14/h1-6,8,12-14,16-17H,7,9-11H2
InChIKey ODHDDRLUNJFFIO-UHFFFAOYSA-N
Mol Weight 316.41 g/mol
Molecular Formula C20H20N4
Exact Mass 316.168797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Rfiq0Yxw5t
Name Endo-9-benzyl-6-(bicyclo[2,2,2]oct-5-en-2-yl)-9H-purine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.168796660 u
Formula C20H20N4
InChI InChI=1S/C20H20N4/c1-2-4-15(5-3-1)11-24-13-23-19-18(21-12-22-20(19)24)17-10-14-6-8-16(17)9-7-14/h1-6,8,12-14,16-17H,7,9-11H2
InChIKey ODHDDRLUNJFFIO-UHFFFAOYSA-N
Molecular Weight 316.408 g/mol
SMILES C1=2C(N(CC=3C=CC=CC3)C=N1)=NC=NC2C1C2C=CC(C1)CC2