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

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8-(1,3-benzodioxol-5-yloxy)-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Cp83c1bff3U
InChI InChI=1S/C21H18N4O5/c1-23-17-18(22-20(23)30-14-8-9-15-16(10-14)29-12-28-15)24(2)21(27)25(19(17)26)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey LBQKOQJIMBHDDB-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C21H18N4O5
Exact Mass 406.12772 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZqbHSSCPqp
Name 8-(1,3-benzodioxol-5-yloxy)-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18N4O5/c1-23-17-18(22-20(23)30-14-8-9-15-16(10-14)29-12-28-15)24(2)21(27)25(19(17)26)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey LBQKOQJIMBHDDB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2026
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 800023LRP-1088; Labnumber: 800023LRP-1088; VK_ID: VK-002027
Temperature 318 °C