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(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID BhtPrJr4ov
InChI InChI=1S/C21H19N3O5/c25-19-16(12-22-11-15-6-7-17-18(10-15)29-13-28-17)20(26)24(21(27)23-19)9-8-14-4-2-1-3-5-14/h1-7,10,12,22H,8-9,11,13H2,(H,23,25,27)/b16-12+
InChIKey FCEFSKURTWKMSA-FOWTUZBSSA-N
Mol Weight 393.4 g/mol
Molecular Formula C21H19N3O5
Exact Mass 393.132471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AfpFAa6P0iT
Name (5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(2-phenylethyl)-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/C21H19N3O5/c25-19-16(12-22-11-15-6-7-17-18(10-15)29-13-28-17)20(26)24(21(27)23-19)9-8-14-4-2-1-3-5-14/h1-7,10,12,22H,8-9,11,13H2,(H,23,25,27)/b16-12+
InChIKey FCEFSKURTWKMSA-FOWTUZBSSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8985
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: D40137; Labnumber: KKA-0211-1901; SBI_ID: SBI-008988
Synonyms 5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-(2-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 306 °C