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1H-Purine-2,6-dione, 8-(1,3-benzodioxol-5-yloxy)-3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
SpectraBase Compound ID Psb0ukwmP0
InChI InChI=1S/C17H16N4O5/c1-4-7-21-13-14(19(2)17(23)20(3)15(13)22)18-16(21)26-10-5-6-11-12(8-10)25-9-24-11/h4-6,8H,1,7,9H2,2-3H3
InChIKey OKSCMUNGYXLSFZ-UHFFFAOYSA-N
Mol Weight 356.34 g/mol
Molecular Formula C17H16N4O5
Exact Mass 356.11207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4TcUVAV94q
Name 1H-Purine-2,6-dione, 8-(1,3-benzodioxol-5-yloxy)-3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.112069626 u
Formula C17H16N4O5
InChI InChI=1S/C17H16N4O5/c1-4-7-21-13-14(19(2)17(23)20(3)15(13)22)18-16(21)26-10-5-6-11-12(8-10)25-9-24-11/h4-6,8H,1,7,9H2,2-3H3
InChIKey OKSCMUNGYXLSFZ-UHFFFAOYSA-N
Molecular Weight 356.338 g/mol
SMILES C12=C(C(N(C)C(N2C)=O)=O)N(CC=C)C(=N1)OC=1C=C2C(OCO2)=CC1