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(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 6jthOBD1p4V
InChI InChI=1S/C22H21N3O5/c1-3-16(23-11-14-6-9-17-18(10-14)30-12-29-17)19-20(26)24-22(28)25(21(19)27)15-7-4-13(2)5-8-15/h4-10,23H,3,11-12H2,1-2H3,(H,24,26,28)/b19-16+
InChIKey FHSULWDPEDUQLY-KNTRCKAVSA-N
Mol Weight 407.43 g/mol
Molecular Formula C22H21N3O5
Exact Mass 407.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1oxUvHDKOEh
Name (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-1-(4-methylphenyl)-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/C22H21N3O5/c1-3-16(23-11-14-6-9-17-18(10-14)30-12-29-17)19-20(26)24-22(28)25(21(19)27)15-7-4-13(2)5-8-15/h4-10,23H,3,11-12H2,1-2H3,(H,24,26,28)/b19-16+
InChIKey FHSULWDPEDUQLY-KNTRCKAVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4744
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: E10331; Labnumber: KKA-0212A-1298; SBI_ID: SBI-004746
Synonyms 5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C