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ethyl [(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
SpectraBase Compound ID Bs5Rt3RqTuz
InChI InChI=1S/C12H16N4O4S/c1-5-20-7(17)6-21-11-13-9-8(14(11)2)10(18)16(4)12(19)15(9)3/h5-6H2,1-4H3
InChIKey GASFFLWTFGKVIO-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 9nABCGaO6L8
Name ethyl [(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/C12H16N4O4S/c1-5-20-7(17)6-21-11-13-9-8(14(11)2)10(18)16(4)12(19)15(9)3/h5-6H2,1-4H3
InChIKey GASFFLWTFGKVIO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_543
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/8316049; Labnumber: LP-3700503