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1,3-dimethyl-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 89Th6vNOH0q
InChI InChI=1S/C20H17N3O5S/c1-21-18(24)17(19(25)22(2)20(21)29)11-13-5-9-16(10-6-13)28-12-14-3-7-15(8-4-14)23(26)27/h3-11H,12H2,1-2H3
InChIKey YHPQMLKDRVBEBX-UHFFFAOYSA-N
Mol Weight 411.43 g/mol
Molecular Formula C20H17N3O5S
Exact Mass 411.088892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9QycMRjQKil
Name 1,3-dimethyl-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-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/C20H17N3O5S/c1-21-18(24)17(19(25)22(2)20(21)29)11-13-5-9-16(10-6-13)28-12-14-3-7-15(8-4-14)23(26)27/h3-11H,12H2,1-2H3
InChIKey YHPQMLKDRVBEBX-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8318
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: 9686111; UBI_ID: UBI-008321
Temperature 308 °C