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1,4-bis-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yloxy)-benzene

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1,4-bis-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yloxy)-benzene
SpectraBase Compound ID D6NUSonHXci
InChI InChI=1S/C22H22N8O6/c1-25-13-15(27(3)21(33)29(5)17(13)31)23-19(25)35-11-7-9-12(10-8-11)36-20-24-16-14(26(20)2)18(32)30(6)22(34)28(16)4/h7-10H,1-6H3
InChIKey JJIGQXWPLQRNFU-UHFFFAOYSA-N
Mol Weight 494.47 g/mol
Molecular Formula C22H22N8O6
Exact Mass 494.16623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFUgM38tlLt
Name 1,4-bis-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yloxy)-benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.166230454 u
Formula C22H22N8O6
InChI InChI=1S/C22H22N8O6/c1-25-13-15(27(3)21(33)29(5)17(13)31)23-19(25)35-11-7-9-12(10-8-11)36-20-24-16-14(26(20)2)18(32)30(6)22(34)28(16)4/h7-10H,1-6H3
InChIKey JJIGQXWPLQRNFU-UHFFFAOYSA-N
Molecular Weight 494.468 g/mol
SMILES C12=C(C(N(C(N2C)=O)C)=O)N(C)C(=N1)OC1=CC=C(OC2=NC=3N(C(=O)N(C(C3N2C)=O)C)C)C=C1