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7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DusBS2eseRq
InChI InChI=1S/C21H18Cl2N4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-3-7-15(22)8-4-13)20(24-18)30-12-14-5-9-16(23)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey ABBUCNWFUMGSHW-UHFFFAOYSA-N
Mol Weight 461.37 g/mol
Molecular Formula C21H18Cl2N4O2S
Exact Mass 460.052752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57UM4FKIUKf
Name 7-(4-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-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/C21H18Cl2N4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-3-7-15(22)8-4-13)20(24-18)30-12-14-5-9-16(23)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey ABBUCNWFUMGSHW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20224
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: D16410; Labnumber: UZROM-3534; SBI_ID: SBI-020228
Temperature 315 °C