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3-({4-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid

View entire compound with spectra: 1 NMR

3-({4-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID 9sxUFg4dw77
InChI InChI=1S/C28H24N2O6S/c1-3-17-7-10-21(11-8-17)30-26(32)22(25(31)29-28(30)37)14-18-9-12-23(24(15-18)35-2)36-16-19-5-4-6-20(13-19)27(33)34/h4-15H,3,16H2,1-2H3,(H,33,34)(H,29,31,37)/b22-14+
InChIKey NSXCZPBVUNHXKX-HYARGMPZSA-N
Mol Weight 516.57 g/mol
Molecular Formula C28H24N2O6S
Exact Mass 516.135508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkWxsFIqp0R
Name 3-({4-[(E)-(1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.135507669 u
Formula C28H24N2O6S
InChI InChI=1S/C28H24N2O6S/c1-3-17-7-10-21(11-8-17)30-26(32)22(25(31)29-28(30)37)14-18-9-12-23(24(15-18)35-2)36-16-19-5-4-6-20(13-19)27(33)34/h4-15H,3,16H2,1-2H3,(H,33,34)(H,29,31,37)/b22-14+
InChIKey NSXCZPBVUNHXKX-HYARGMPZSA-N
Molecular Weight 516.568 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5343
Solvent DMSO-d6
Source Vendor ID: NMR/12318749