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(5E)-1-(1,3-benzodioxol-5-yl)-5-{2-[(4-fluorobenzyl)oxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID IKxjEpdR0iT
InChI InChI=1S/C25H17FN2O6/c26-17-7-5-15(6-8-17)13-32-20-4-2-1-3-16(20)11-19-23(29)27-25(31)28(24(19)30)18-9-10-21-22(12-18)34-14-33-21/h1-12H,13-14H2,(H,27,29,31)/b19-11+
InChIKey VKFBXIJQXUSZJF-YBFXNURJSA-N
Mol Weight 460.42 g/mol
Molecular Formula C25H17FN2O6
Exact Mass 460.107064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80piarnnKB8
Name (5E)-1-(1,3-benzodioxol-5-yl)-5-{2-[(4-fluorobenzyl)oxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C25H17FN2O6/c26-17-7-5-15(6-8-17)13-32-20-4-2-1-3-16(20)11-19-23(29)27-25(31)28(24(19)30)18-9-10-21-22(12-18)34-14-33-21/h1-12H,13-14H2,(H,27,29,31)/b19-11+
InChIKey VKFBXIJQXUSZJF-YBFXNURJSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10058
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: 1002717; UBI_ID: UBI-010061
Synonyms 1-(1,3-benzodioxol-5-yl)-5-{2-[(4-fluorobenzyl)oxy]benzylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 315 °C