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2-(allylsulfanyl)-5-[[2-(allylsulfanyl)-6-hydroxy-4-oxo-1,4-dihydro-5-pyrimidinyl](4-methylphenyl)methyl]-6-hydroxy-4(1H)-pyrimidinone

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2-(allylsulfanyl)-5-[[2-(allylsulfanyl)-6-hydroxy-4-oxo-1,4-dihydro-5-pyrimidinyl](4-methylphenyl)methyl]-6-hydroxy-4(1H)-pyrimidinone
SpectraBase Compound ID FaT8NR2tFtp
InChI InChI=1S/C22H22N4O4S2/c1-4-10-31-21-23-17(27)15(18(28)24-21)14(13-8-6-12(3)7-9-13)16-19(29)25-22(26-20(16)30)32-11-5-2/h4-9,14H,1-2,10-11H2,3H3,(H2,23,24,27,28)(H2,25,26,29,30)
InChIKey GZQJBAHBPCIIKI-UHFFFAOYSA-N
Mol Weight 470.56 g/mol
Molecular Formula C22H22N4O4S2
Exact Mass 470.108248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9x5W45AOrT7
Name 2-(allylsulfanyl)-5-[[2-(allylsulfanyl)-6-hydroxy-4-oxo-1,4-dihydro-5-pyrimidinyl](4-methylphenyl)methyl]-6-hydroxy-4(1H)-pyrimidinone
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/C22H22N4O4S2/c1-4-10-31-21-23-17(27)15(18(28)24-21)14(13-8-6-12(3)7-9-13)16-19(29)25-22(26-20(16)30)32-11-5-2/h4-9,14H,1-2,10-11H2,3H3,(H2,23,24,27,28)(H2,25,26,29,30)
InChIKey GZQJBAHBPCIIKI-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5591
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: D23088; Labnumber: KVEX-30013; SBI_ID: SBI-005593
Temperature 308 °C