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1H-purine-2,6-dione, 3,7-dihydro-3-methyl-7-(3-methylbutyl)-8-[(2-oxo-2-phenylethyl)thio]-
SpectraBase Compound ID JqBfenbRHEH
InChI InChI=1S/C19H22N4O3S/c1-12(2)9-10-23-15-16(22(3)18(26)21-17(15)25)20-19(23)27-11-14(24)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,21,25,26)
InChIKey ATNRNWSYYOYWBC-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C19H22N4O3S
Exact Mass 386.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ERqizf9FW76
Name 1H-purine-2,6-dione, 3,7-dihydro-3-methyl-7-(3-methylbutyl)-8-[(2-oxo-2-phenylethyl)thio]-
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/C19H22N4O3S/c1-12(2)9-10-23-15-16(22(3)18(26)21-17(15)25)20-19(23)27-11-14(24)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,21,25,26)
InChIKey ATNRNWSYYOYWBC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7112
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/10328396