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2-Phenyl-9-(2-phenylmethoxyethoxymethyl)-3H-purin-6-one

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

2-Phenyl-9-(2-phenylmethoxyethoxymethyl)-3H-purin-6-one
SpectraBase Compound ID FpFQ9tIceM4
InChI InChI=1S/C21H20N4O3/c26-21-18-20(23-19(24-21)17-9-5-2-6-10-17)25(14-22-18)15-28-12-11-27-13-16-7-3-1-4-8-16/h1-10,14H,11-13,15H2,(H,23,24,26)
InChIKey OKBXKNDURNBXQR-UHFFFAOYSA-N
Mol Weight 376.42 g/mol
Molecular Formula C21H20N4O3
Exact Mass 376.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbh2mWHoEYP
Name 2-Phenyl-9-(2-phenylmethoxyethoxymethyl)-3H-purin-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.153540517 u
Formula C21H20N4O3
InChI InChI=1S/C21H20N4O3/c26-21-18-20(23-19(24-21)17-9-5-2-6-10-17)25(14-22-18)15-28-12-11-27-13-16-7-3-1-4-8-16/h1-10,14H,11-13,15H2,(H,23,24,26)
InChIKey OKBXKNDURNBXQR-UHFFFAOYSA-N
Molecular Weight 376.416 g/mol
SMILES C12=C(N=CN2COCCOCC2=CC=CC=C2)C(=O)NC(=N1)C=1C=CC=CC1