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(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 8HUH86IZzoD
InChI InChI=1S/C22H21N3O6/c1-3-16(23-11-13-4-9-17-18(10-13)31-12-30-17)19-20(26)24-22(28)25(21(19)27)14-5-7-15(29-2)8-6-14/h4-10,23H,3,11-12H2,1-2H3,(H,24,26,28)/b19-16+
InChIKey MYBXTHPDKLSWDR-KNTRCKAVSA-N
Mol Weight 423.43 g/mol
Molecular Formula C22H21N3O6
Exact Mass 423.143035 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 38NEXymwG8e
Name (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-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/C22H21N3O6/c1-3-16(23-11-13-4-9-17-18(10-13)31-12-30-17)19-20(26)24-22(28)25(21(19)27)14-5-7-15(29-2)8-6-14/h4-10,23H,3,11-12H2,1-2H3,(H,24,26,28)/b19-16+
InChIKey MYBXTHPDKLSWDR-KNTRCKAVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10727
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: E02993; Labnumber: KKA-0212A-1372; SBI_ID: SBI-010730
Synonyms 5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C