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8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID JDyicWQuKnd
InChI InChI=1S/C18H22N4O3S/c1-12-5-7-13(8-6-12)11-22-14-15(19-17(22)26-10-4-9-23)20(2)18(25)21(3)16(14)24/h5-8,23H,4,9-11H2,1-3H3
InChIKey YPVDZYIDYYBYNL-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C18H22N4O3S
Exact Mass 374.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GKoM2ImgZx2
Name 8-[(3-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(4-methylbenzyl)-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/C18H22N4O3S/c1-12-5-7-13(8-6-12)11-22-14-15(19-17(22)26-10-4-9-23)20(2)18(25)21(3)16(14)24/h5-8,23H,4,9-11H2,1-3H3
InChIKey YPVDZYIDYYBYNL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18647
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: D35191; Labnumber: UZROM-3573; SBI_ID: SBI-018650
Temperature 308 °C