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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-chlorophenyl)amino]methyl]-1,3-dimethyl-
SpectraBase Compound ID 8OZCvjObMdR
InChI InChI=1S/C21H20ClN3O5/c1-24-18(26)21(19(27)25(2)20(24)28,11-23-15-6-4-14(22)5-7-15)10-13-3-8-16-17(9-13)30-12-29-16/h3-9,23H,10-12H2,1-2H3
InChIKey BTRJYNOMXPXEDG-UHFFFAOYSA-N
Mol Weight 429.86 g/mol
Molecular Formula C21H20ClN3O5
Exact Mass 429.109148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LGchFeRaMpY
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-chlorophenyl)amino]methyl]-1,3-dimethyl-
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/C21H20ClN3O5/c1-24-18(26)21(19(27)25(2)20(24)28,11-23-15-6-4-14(22)5-7-15)10-13-3-8-16-17(9-13)30-12-29-16/h3-9,23H,10-12H2,1-2H3
InChIKey BTRJYNOMXPXEDG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2737
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: F15496; Labnumber: KRAS-S1086-0168