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5,5'-(pyridin-3-ylmethylene)bis(6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
SpectraBase Compound ID A3gwjL2hBYl
InChI InChI=1S/C14H11N5O4S2/c20-9-7(10(21)17-13(24)16-9)6(5-2-1-3-15-4-5)8-11(22)18-14(25)19-12(8)23/h1-4,6H,(H3,16,17,20,21,24)(H3,18,19,22,23,25)
InChIKey XJJQVSJIZSQPOQ-UHFFFAOYSA-N
Mol Weight 377.39 g/mol
Molecular Formula C14H11N5O4S2
Exact Mass 377.025246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LFp4HyjYNW8
Name 5,5'-(pyridin-3-ylmethylene)bis(6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
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/C14H11N5O4S2/c20-9-7(10(21)17-13(24)16-9)6(5-2-1-3-15-4-5)8-11(22)18-14(25)19-12(8)23/h1-4,6H,(H3,16,17,20,21,24)(H3,18,19,22,23,25)
InChIKey XJJQVSJIZSQPOQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1583
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/11229620