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4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 4-methoxybenzenesulfonate
SpectraBase Compound ID 90093Wfm8Ur
InChI InChI=1S/C19H16N2O7S2/c1-26-12-4-6-13(7-5-12)30(24,25)28-15-8-3-11(10-16(15)27-2)9-14-17(22)20-19(29)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,29)
InChIKey QLHQTJVLHFPBJM-UHFFFAOYSA-N
Mol Weight 448.46 g/mol
Molecular Formula C19H16N2O7S2
Exact Mass 448.039893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArRtc9fDgdl
Name 4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 4-methoxybenzenesulfonate
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/C19H16N2O7S2/c1-26-12-4-6-13(7-5-12)30(24,25)28-15-8-3-11(10-16(15)27-2)9-14-17(22)20-19(29)21-18(14)23/h3-10H,1-2H3,(H2,20,21,22,23,29)
InChIKey QLHQTJVLHFPBJM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9035
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: 1002188; UBI_ID: UBI-009038
Temperature 313 °C