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8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-(1,3-benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID ImsTCMzhQWo
InChI InChI=1S/C21H18N4O5/c1-23-18-17(19(26)24(2)21(23)27)25(11-13-6-4-3-5-7-13)20(22-18)30-14-8-9-15-16(10-14)29-12-28-15/h3-10H,11-12H2,1-2H3
InChIKey JKXQIJSPZUWKGO-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C21H18N4O5
Exact Mass 406.12772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DfzkMnSskW
Name 8-(1,3-Benzodioxol-5-yloxy)-7-benzyl-1,3-dimethyl-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 406.127719691 u
Formula C21H18N4O5
InChI InChI=1S/C21H18N4O5/c1-23-18-17(19(26)24(2)21(23)27)25(11-13-6-4-3-5-7-13)20(22-18)30-14-8-9-15-16(10-14)29-12-28-15/h3-10H,11-12H2,1-2H3
InChIKey JKXQIJSPZUWKGO-UHFFFAOYSA-N
Molecular Weight 406.398 g/mol
SMILES C12=C(N(CC3=CC=CC=C3)C(=N1)OC=1C=C3OCOC3=CC1)C(=O)N(C(N2C)=O)C