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(5E)-5-[4-(diethylamino)benzylidene]-1-(4-fluorobenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 5yGGkFzfNwQ
InChI InChI=1S/C22H22FN3O3/c1-3-25(4-2)18-11-7-15(8-12-18)13-19-20(27)24-22(29)26(21(19)28)14-16-5-9-17(23)10-6-16/h5-13H,3-4,14H2,1-2H3,(H,24,27,29)/b19-13+
InChIKey TYSRUIWDQVTNFS-CPNJWEJPSA-N
Mol Weight 395.43 g/mol
Molecular Formula C22H22FN3O3
Exact Mass 395.16452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KftHqKJ3a4p
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[4-(diethylamino)phenyl]methylene]-1-[(4-fluorophenyl)methyl]-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.164519740 u
Formula C22H22FN3O3
InChI InChI=1S/C22H22FN3O3/c1-3-25(4-2)18-11-7-15(8-12-18)13-19-20(27)24-22(29)26(21(19)28)14-16-5-9-17(23)10-6-16/h5-13H,3-4,14H2,1-2H3,(H,24,27,29)/b19-13+
InChIKey TYSRUIWDQVTNFS-CPNJWEJPSA-N
Molecular Weight 395.434 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15017
Solvent DMSO-d6
Source Vendor ID: NMR/10321773; Lab Info: LP; Lab Number: LP-1708333