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acetic acid, [(2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-7-propyl-1H-purin-8-yl)thio]-
SpectraBase Compound ID CDq26rsxmTb
InChI InChI=1S/C11H14N4O4S/c1-3-4-15-7-8(12-11(15)20-5-6(16)17)14(2)10(19)13-9(7)18/h3-5H2,1-2H3,(H,16,17)(H,13,18,19)
InChIKey VRMVCQBKLALMND-UHFFFAOYSA-N
Mol Weight 298.32 g/mol
Molecular Formula C11H14N4O4S
Exact Mass 298.073576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3uZUkLdhIcQ
Name acetic acid, [(2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-7-propyl-1H-purin-8-yl)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/C11H14N4O4S/c1-3-4-15-7-8(12-11(15)20-5-6(16)17)14(2)10(19)13-9(7)18/h3-5H2,1-2H3,(H,16,17)(H,13,18,19)
InChIKey VRMVCQBKLALMND-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7095
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/10328370