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3-methyl-7-(2-oxopropyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

3-methyl-7-(2-oxopropyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IcD7ghkRdkp
InChI InChI=1S/C9H10N4O3S/c1-4(14)3-13-5-6(10-9(13)17)12(2)8(16)11-7(5)15/h3H2,1-2H3,(H,10,17)(H,11,15,16)
InChIKey XBCJUASDLWPYGE-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C9H10N4O3S
Exact Mass 254.047361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bxjeb3Df5FN
Name 3-methyl-7-(2-oxopropyl)-8-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/C9H10N4O3S/c1-4(14)3-13-5-6(10-9(13)17)12(2)8(16)11-7(5)15/h3H2,1-2H3,(H,10,17)(H,11,15,16)
InChIKey XBCJUASDLWPYGE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25202
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: D49529; Labnumber: UZROM-3893; SBI_ID: SBI-025206
Temperature 300 °C