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

View entire compound with spectra: 2 NMR

1,3-dimethyl-7-(4-methylbenzyl)-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DYtH2oz6cR3
InChI InChI=1S/C16H18N4O2S/c1-10-5-7-11(8-6-10)9-20-12-13(17-15(20)23-4)18(2)16(22)19(3)14(12)21/h5-8H,9H2,1-4H3
InChIKey DQTOFTOTHFFPOE-UHFFFAOYSA-N
Mol Weight 330.41 g/mol
Molecular Formula C16H18N4O2S
Exact Mass 330.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FbnOb9loKxB
Name 1,3-dimethyl-7-(4-methylbenzyl)-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H18N4O2S/c1-10-5-7-11(8-6-10)9-20-12-13(17-15(20)23-4)18(2)16(22)19(3)14(12)21/h5-8H,9H2,1-4H3
InChIKey DQTOFTOTHFFPOE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18662
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: D35207; Labnumber: UZROM-3590; SBI_ID: SBI-018665
Temperature 308 °C