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acetic acid, [[2,3,6,7-tetrahydro-3-methyl-7-(2-methylpropyl)-2,6-dioxo-1H-purin-8-yl]thio]-
SpectraBase Compound ID 8i82FHQlSBO
InChI InChI=1S/C12H16N4O4S/c1-6(2)4-16-8-9(13-12(16)21-5-7(17)18)15(3)11(20)14-10(8)19/h6H,4-5H2,1-3H3,(H,17,18)(H,14,19,20)
InChIKey QLHNSNYBSZJJFB-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C12H16N4O4S
Exact Mass 312.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jb5Lhq2xcFk
Name acetic acid, [[2,3,6,7-tetrahydro-3-methyl-7-(2-methylpropyl)-2,6-dioxo-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/C12H16N4O4S/c1-6(2)4-16-8-9(13-12(16)21-5-7(17)18)15(3)11(20)14-10(8)19/h6H,4-5H2,1-3H3,(H,17,18)(H,14,19,20)
InChIKey QLHNSNYBSZJJFB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7103
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/10328382