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2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
SpectraBase Compound ID 8d4JCofgf76
InChI InChI=1S/C13H19N5O3S/c1-4-5-6-18-9-10(15-12(18)22-7-8(14)19)16(2)13(21)17(3)11(9)20/h4-7H2,1-3H3,(H2,14,19)
InChIKey OTXKTYNEWMVJKA-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C13H19N5O3S
Exact Mass 325.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7L5pXMT4VG
Name 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
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/C13H19N5O3S/c1-4-5-6-18-9-10(15-12(18)22-7-8(14)19)16(2)13(21)17(3)11(9)20/h4-7H2,1-3H3,(H2,14,19)
InChIKey OTXKTYNEWMVJKA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6064
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/11242273; Labnumber: SAD-0002916; IOH_ID: IOH-006065