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1,3-dimethyl-7-(4-methylbenzyl)-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7t2e9CC8Agg
InChI InChI=1S/C18H20N4O3S/c1-11-5-7-13(8-6-11)9-22-14-15(19-17(22)26-10-12(2)23)20(3)18(25)21(4)16(14)24/h5-8H,9-10H2,1-4H3
InChIKey HMUGEHPKYMIORT-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C18H20N4O3S
Exact Mass 372.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F5dzAN2lx5B
Name 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2-oxopropyl)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/C18H20N4O3S/c1-11-5-7-13(8-6-11)9-22-14-15(19-17(22)26-10-12(2)23)20(3)18(25)21(4)16(14)24/h5-8H,9-10H2,1-4H3
InChIKey HMUGEHPKYMIORT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18650
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: D35194; Labnumber: UZROM-3576; SBI_ID: SBI-018653
Temperature 308 °C