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ethanone, 1-[3-[[4,6-dihydroxy-2-[(phenylmethyl)thio]-5-pyrimidinyl]methyl]-4-ethoxyphenyl]-
SpectraBase Compound ID 9Jvt6upDxBo
InChI InChI=1S/C22H22N2O4S/c1-3-28-19-10-9-16(14(2)25)11-17(19)12-18-20(26)23-22(24-21(18)27)29-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H2,23,24,26,27)
InChIKey JESJDLQXUJDYNX-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7qZAiZRwr8E
Name ethanone, 1-[3-[[4,6-dihydroxy-2-[(phenylmethyl)thio]-5-pyrimidinyl]methyl]-4-ethoxyphenyl]-
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/C22H22N2O4S/c1-3-28-19-10-9-16(14(2)25)11-17(19)12-18-20(26)23-22(24-21(18)27)29-13-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H2,23,24,26,27)
InChIKey JESJDLQXUJDYNX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_137
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/10318476