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(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 7beTmx03gU4
InChI InChI=1S/C21H19N3O6/c1-12(22-10-13-3-8-16-17(9-13)30-11-29-16)18-19(25)23-21(27)24(20(18)26)14-4-6-15(28-2)7-5-14/h3-9,22H,10-11H2,1-2H3,(H,23,25,27)/b18-12+
InChIKey VFAOIZJSZIUZPY-LDADJPATSA-N
Mol Weight 409.4 g/mol
Molecular Formula C21H19N3O6
Exact Mass 409.127385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3u74Am5ddkN
Name (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-1-(4-methoxyphenyl)-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/C21H19N3O6/c1-12(22-10-13-3-8-16-17(9-13)30-11-29-16)18-19(25)23-21(27)24(20(18)26)14-4-6-15(28-2)7-5-14/h3-9,22H,10-11H2,1-2H3,(H,23,25,27)/b18-12+
InChIKey VFAOIZJSZIUZPY-LDADJPATSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10713
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: E02949; Labnumber: KKA-0212A-0632; SBI_ID: SBI-010716
Synonyms 5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C