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(5Z)-1-(3,4-dimethylphenyl)-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID APcPs1IK4Te
InChI InChI=1S/C21H21N3O2S/c1-14-8-9-17(12-15(14)2)24-20(26)18(19(25)23-21(24)27)13-22-11-10-16-6-4-3-5-7-16/h3-9,12-13,22H,10-11H2,1-2H3,(H,23,25,27)/b18-13-
InChIKey AKEOPZFFHVPSAD-AQTBWJFISA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EgP4AEV1tbj
Name (5Z)-1-(3,4-dimethylphenyl)-5-{[(2-phenylethyl)amino]methylene}-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/C21H21N3O2S/c1-14-8-9-17(12-15(14)2)24-20(26)18(19(25)23-21(24)27)13-22-11-10-16-6-4-3-5-7-16/h3-9,12-13,22H,10-11H2,1-2H3,(H,23,25,27)/b18-13-
InChIKey AKEOPZFFHVPSAD-AQTBWJFISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4768
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: E10407; Labnumber: KKA-0212C-1014; SBI_ID: SBI-004770
Synonyms 1-(3,4-dimethylphenyl)-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C