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N-(tert-butyl)-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
SpectraBase Compound ID 7zcF7VhLD6c
InChI InChI=1S/C14H21N5O3S/c1-14(2,3)16-8(20)7-23-12-15-10-9(17(12)4)11(21)19(6)13(22)18(10)5/h7H2,1-6H3,(H,16,20)
InChIKey NSQWEOVDXPEGQC-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C14H21N5O3S
Exact Mass 339.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IFrOgHDnYNA
Name N-(tert-butyl)-2-[(1,3,7-trimethyl-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/C14H21N5O3S/c1-14(2,3)16-8(20)7-23-12-15-10-9(17(12)4)11(21)19(6)13(22)18(10)5/h7H2,1-6H3,(H,16,20)
InChIKey NSQWEOVDXPEGQC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1734
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: ZI/8073239; Labnumber: LP-3700390; IOH_ID: IOH-001735
Temperature 303 °C