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8-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

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8-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Bo6hpLS9B6C
InChI InChI=1S/C18H22N4O4/c1-20-15-14(16(23)21(2)18(20)24)22(17(19-15)26-12-11-25-3)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey JGCRAUHKXJYZCD-UHFFFAOYSA-N
Mol Weight 358.4 g/mol
Molecular Formula C18H22N4O4
Exact Mass 358.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfqDv2B92wc
Name 8-(2-Methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.164105200 u
Formula C18H22N4O4
InChI InChI=1S/C18H22N4O4/c1-20-15-14(16(23)21(2)18(20)24)22(17(19-15)26-12-11-25-3)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey JGCRAUHKXJYZCD-UHFFFAOYSA-N
Molecular Weight 358.398 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCC2=CC=CC=C2)C(=N1)OCCOC