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(5E)-1-(4-fluorobenzyl)-5-[(4-morpholinylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 6X4Z5AbykP0
InChI InChI=1S/C16H17FN4O4/c17-12-3-1-11(2-4-12)10-21-15(23)13(14(22)19-16(21)24)9-18-20-5-7-25-8-6-20/h1-4,9,18H,5-8,10H2,(H,19,22,24)/b13-9+
InChIKey VQWPWPGKNRMDCP-UKTHLTGXSA-N
Mol Weight 348.33 g/mol
Molecular Formula C16H17FN4O4
Exact Mass 348.123383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkKm8kb1vuz
Name (5E)-1-(4-fluorobenzyl)-5-[(4-morpholinylamino)methylene]-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/C16H17FN4O4/c17-12-3-1-11(2-4-12)10-21-15(23)13(14(22)19-16(21)24)9-18-20-5-7-25-8-6-20/h1-4,9,18H,5-8,10H2,(H,19,22,24)/b13-9+
InChIKey VQWPWPGKNRMDCP-UKTHLTGXSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8981
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: D40131; Labnumber: KKA-0211-1838; SBI_ID: SBI-008984
Synonyms 1-(4-fluorobenzyl)-5-[(4-morpholinylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 306 °C