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

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8-(1,3-benzodioxol-5-yloxy)-7-(2,6-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1Rq1G5W8Z3O
InChI InChI=1S/C21H16Cl2N4O5/c1-25-18-17(19(28)26(2)21(25)29)27(9-12-13(22)4-3-5-14(12)23)20(24-18)32-11-6-7-15-16(8-11)31-10-30-15/h3-8H,9-10H2,1-2H3
InChIKey MFNCEDSTQDALRU-UHFFFAOYSA-N
Mol Weight 475.29 g/mol
Molecular Formula C21H16Cl2N4O5
Exact Mass 474.049775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JbRwR8BqlfS
Name 8-(1,3-benzodioxol-5-yloxy)-7-(2,6-dichlorobenzyl)-1,3-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/C21H16Cl2N4O5/c1-25-18-17(19(28)26(2)21(25)29)27(9-12-13(22)4-3-5-14(12)23)20(24-18)32-11-6-7-15-16(8-11)31-10-30-15/h3-8H,9-10H2,1-2H3
InChIKey MFNCEDSTQDALRU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2023
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: 800017LRP-1081; Labnumber: 800017LRP-1081; VK_ID: VK-002024
Temperature 318 °C