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1,3-dimethyl-7-(4-methylbenzyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

1,3-dimethyl-7-(4-methylbenzyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6WpVuhENOOM
InChI InChI=1S/C18H22N4O2S/c1-5-10-25-17-19-15-14(16(23)21(4)18(24)20(15)3)22(17)11-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3
InChIKey HTVQQOPIPCYOMJ-UHFFFAOYSA-N
Mol Weight 358.46 g/mol
Molecular Formula C18H22N4O2S
Exact Mass 358.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6WzZBLXYvKi
Name 1,3-dimethyl-7-(4-methylbenzyl)-8-(propylsulfanyl)-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/C18H22N4O2S/c1-5-10-25-17-19-15-14(16(23)21(4)18(24)20(15)3)22(17)11-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3
InChIKey HTVQQOPIPCYOMJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18664
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: D35209; Labnumber: UZROM-3592; SBI_ID: SBI-018667
Temperature 308 °C