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2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 3w9Ulsk1KTt
InChI InChI=1S/C19H16N2O6S2/c1-11-6-8-13(9-7-11)29(24,25)27-16-12(4-3-5-15(16)26-2)10-14-17(22)20-19(28)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,28)
InChIKey YCRYZWCGZPYGPZ-UHFFFAOYSA-N
Mol Weight 432.47 g/mol
Molecular Formula C19H16N2O6S2
Exact Mass 432.044979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BhnQEGLDlPh
Name 2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenyl 4-methylbenzenesulfonate
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/C19H16N2O6S2/c1-11-6-8-13(9-7-11)29(24,25)27-16-12(4-3-5-15(16)26-2)10-14-17(22)20-19(28)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,28)
InChIKey YCRYZWCGZPYGPZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9404
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: 1000183; UBI_ID: UBI-009407
Temperature 318 °C