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

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8-(1,3-benzodioxol-5-yloxy)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 3punhZXM5u2
InChI InChI=1S/C21H17ClN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-5-3-4-6-14(12)22)20(23-18)31-13-7-8-15-16(9-13)30-11-29-15/h3-9H,10-11H2,1-2H3
InChIKey BMEYMORJKCGRMM-UHFFFAOYSA-N
Mol Weight 440.84 g/mol
Molecular Formula C21H17ClN4O5
Exact Mass 440.088747 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DP7C7WXWbsK
Name 8-(1,3-benzodioxol-5-yloxy)-7-(2-chlorobenzyl)-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/C21H17ClN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-5-3-4-6-14(12)22)20(23-18)31-13-7-8-15-16(9-13)30-11-29-15/h3-9H,10-11H2,1-2H3
InChIKey BMEYMORJKCGRMM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2021
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: 800015LRP-1079; Labnumber: 800015LRP-1079; VK_ID: VK-002022
Temperature 318 °C