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2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(2-fluorophenyl)-5-[[5-(phenylthio)-2-furanyl]methylene]-, (5E)-
SpectraBase Compound ID 3XBOeCCiHe9
InChI InChI=1S/C21H13FN2O4S/c22-16-8-4-5-9-17(16)24-20(26)15(19(25)23-21(24)27)12-13-10-11-18(28-13)29-14-6-2-1-3-7-14/h1-12H,(H,23,25,27)/b15-12+
InChIKey NTTXNJFFWAHREN-NTCAYCPXSA-N
Mol Weight 408.4 g/mol
Molecular Formula C21H13FN2O4S
Exact Mass 408.058006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DsDGsYbjqdu
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(2-fluorophenyl)-5-[[5-(phenylthio)-2-furanyl]methylene]-, (5E)-
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/C21H13FN2O4S/c22-16-8-4-5-9-17(16)24-20(26)15(19(25)23-21(24)27)12-13-10-11-18(28-13)29-14-6-2-1-3-7-14/h1-12H,(H,23,25,27)/b15-12+
InChIKey NTTXNJFFWAHREN-NTCAYCPXSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1516
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/11259736