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1-(2-chlorobenzyl)-8-[(4-chlorobenzyl)oxy]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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1-(2-chlorobenzyl)-8-[(4-chlorobenzyl)oxy]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2DPwyb1eWOL
InChI InChI=1S/C21H18Cl2N4O3/c1-25-17-18(24-20(25)30-12-13-7-9-15(22)10-8-13)26(2)21(29)27(19(17)28)11-14-5-3-4-6-16(14)23/h3-10H,11-12H2,1-2H3
InChIKey YLRWUKCXMFFCFC-UHFFFAOYSA-N
Mol Weight 445.31 g/mol
Molecular Formula C21H18Cl2N4O3
Exact Mass 444.075596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qpGTJD6dom
Name 1-(2-chlorobenzyl)-8-[(4-chlorobenzyl)oxy]-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/C21H18Cl2N4O3/c1-25-17-18(24-20(25)30-12-13-7-9-15(22)10-8-13)26(2)21(29)27(19(17)28)11-14-5-3-4-6-16(14)23/h3-10H,11-12H2,1-2H3
InChIKey YLRWUKCXMFFCFC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4601
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: E09580; Labnumber: LRP02-1368; SBI_ID: SBI-004603
Temperature 308 °C