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(2-{(Z)-[1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-thioxo-4-imidazolidinylidene]methyl}phenoxy)acetic acid
SpectraBase Compound ID 3PW6BZ12I8B
InChI InChI=1S/C21H20N2O5S/c1-3-27-16-10-8-15(9-11-16)23-20(26)17(22(2)21(23)29)12-14-6-4-5-7-18(14)28-13-19(24)25/h4-12H,3,13H2,1-2H3,(H,24,25)/b17-12-
InChIKey XFVJWFSAIMWNFC-ATVHPVEESA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OrQgRxJPpL
Name (2-{(Z)-[1-(4-ethoxyphenyl)-3-methyl-5-oxo-2-thioxo-4-imidazolidinylidene]methyl}phenoxy)acetic 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 412.109292921 u
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-3-27-16-10-8-15(9-11-16)23-20(26)17(22(2)21(23)29)12-14-6-4-5-7-18(14)28-13-19(24)25/h4-12H,3,13H2,1-2H3,(H,24,25)/b17-12-
InChIKey XFVJWFSAIMWNFC-ATVHPVEESA-N
Molecular Weight 412.460 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1135
Solvent DMSO-d6
Source Vendor ID: NMR/12269232