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methyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
SpectraBase Compound ID Aamf4fI3S0m
InChI InChI=1S/C11H14N4O4S/c1-13-7-8(12-10(13)20-5-6(16)19-4)14(2)11(18)15(3)9(7)17/h5H2,1-4H3
InChIKey AJXKTUCCRXELPY-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 ADcHqWAV88d
Name methyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
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/c1-13-7-8(12-10(13)20-5-6(16)19-4)14(2)11(18)15(3)9(7)17/h5H2,1-4H3
InChIKey AJXKTUCCRXELPY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_965
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/8255065; Labnumber: LP-0037371; IOH_ID: IOH-000966
Temperature 303 °C