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5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID HhKV3H3YWlK
InChI InChI=1S/C21H19FN2O4S/c1-23-19(25)16(20(26)24(2)21(23)29)10-13-7-8-17(18(11-13)27-3)28-12-14-5-4-6-15(22)9-14/h4-11H,12H2,1-3H3
InChIKey PGXBOTLSWXNESB-UHFFFAOYSA-N
Mol Weight 414.45 g/mol
Molecular Formula C21H19FN2O4S
Exact Mass 414.104956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5UfqvWmPVL8
Name 5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C21H19FN2O4S/c1-23-19(25)16(20(26)24(2)21(23)29)10-13-7-8-17(18(11-13)27-3)28-12-14-5-4-6-15(22)9-14/h4-11H,12H2,1-3H3
InChIKey PGXBOTLSWXNESB-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8330
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: 9686569; UBI_ID: UBI-008333
Temperature 308 °C