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1,3,7-trimethyl-8-[(2-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID FF36KpMXMqY
InChI InChI=1S/C16H18N4O2S/c1-10-7-5-6-8-11(10)9-23-15-17-13-12(18(15)2)14(21)20(4)16(22)19(13)3/h5-8H,9H2,1-4H3
InChIKey RTOSGFHRWWYITC-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 9rXndva0qui
Name 1,3,7-trimethyl-8-[(2-methylbenzyl)sulfanyl]-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/C16H18N4O2S/c1-10-7-5-6-8-11(10)9-23-15-17-13-12(18(15)2)14(21)20(4)16(22)19(13)3/h5-8H,9H2,1-4H3
InChIKey RTOSGFHRWWYITC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6156
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: NMR/11242397; Labnumber: SAD-0003054; IOH_ID: IOH-006157