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5-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5VWzBa7rEjy
InChI InChI=1S/C20H17ClN2O4S/c1-11-3-5-12(6-4-11)10-27-17-15(21)8-13(9-16(17)26-2)7-14-18(24)22-20(28)23-19(14)25/h3-9H,10H2,1-2H3,(H2,22,23,24,25,28)
InChIKey HNCWAUQNLLEXEY-UHFFFAOYSA-N
Mol Weight 416.88 g/mol
Molecular Formula C20H17ClN2O4S
Exact Mass 416.059756 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1JqEwmWyBu
Name 5-{3-chloro-5-methoxy-4-[(4-methylbenzyl)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/C20H17ClN2O4S/c1-11-3-5-12(6-4-11)10-27-17-15(21)8-13(9-16(17)26-2)7-14-18(24)22-20(28)23-19(14)25/h3-9H,10H2,1-2H3,(H2,22,23,24,25,28)
InChIKey HNCWAUQNLLEXEY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5219
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: 9675984; UBI_ID: UBI-005221
Temperature 308 °C