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4-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID GqpGAljsQrg
InChI InChI=1S/C23H22N2O6S/c1-4-30-19-12-15(11-17-20(26)24(2)23(32)25(3)21(17)27)7-10-18(19)31-13-14-5-8-16(9-6-14)22(28)29/h5-12H,4,13H2,1-3H3,(H,28,29)
InChIKey ZPJHQXCCHNUWMW-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C23H22N2O6S
Exact Mass 454.119858 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ET11gZbcHMR
Name 4-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenoxy}methyl)benzoic 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/C23H22N2O6S/c1-4-30-19-12-15(11-17-20(26)24(2)23(32)25(3)21(17)27)7-10-18(19)31-13-14-5-8-16(9-6-14)22(28)29/h5-12H,4,13H2,1-3H3,(H,28,29)
InChIKey ZPJHQXCCHNUWMW-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8329
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: 9686261; UBI_ID: UBI-008332
Temperature 308 °C