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2-{4-[(E)-(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}propanoic acid
SpectraBase Compound ID 7H8zuzWnGV6
InChI InChI=1S/C21H18N2O6S/c1-12(20(26)27)29-16-7-3-13(4-8-16)11-17-18(24)22-21(30)23(19(17)25)14-5-9-15(28-2)10-6-14/h3-12H,1-2H3,(H,26,27)(H,22,24,30)/b17-11+
InChIKey WXTNXATVJGBGSQ-GZTJUZNOSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H18N2O6S
Exact Mass 426.088557 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jgu7LwadPlh
Name 2-{4-[(E)-(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}propanoic acid
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/C21H18N2O6S/c1-12(20(26)27)29-16-7-3-13(4-8-16)11-17-18(24)22-21(30)23(19(17)25)14-5-9-15(28-2)10-6-14/h3-12H,1-2H3,(H,26,27)(H,22,24,30)/b17-11+
InChIKey WXTNXATVJGBGSQ-GZTJUZNOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10373
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: 1000792; UBI_ID: UBI-010376
Synonyms 2-{4-[(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}propanoic acid
Temperature 315 °C