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4-({4-[(Z)-(1-ethyl-5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID DVNuW651dGm
InChI InChI=1S/C20H18N2O4S/c1-2-22-18(23)17(21-20(22)27)11-13-5-9-16(10-6-13)26-12-14-3-7-15(8-4-14)19(24)25/h3-11H,2,12H2,1H3,(H,21,27)(H,24,25)/b17-11-
InChIKey NAGRDRZORXZNKY-BOPFTXTBSA-N
Mol Weight 382.43 g/mol
Molecular Formula C20H18N2O4S
Exact Mass 382.098728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOTEpbkXv1g
Name 4-({4-[(Z)-(1-ethyl-5-oxo-2-thioxo-4-imidazolidinylidene)methyl]phenoxy}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 382.098728238 u
Formula C20H18N2O4S
InChI InChI=1S/C20H18N2O4S/c1-2-22-18(23)17(21-20(22)27)11-13-5-9-16(10-6-13)26-12-14-3-7-15(8-4-14)19(24)25/h3-11H,2,12H2,1H3,(H,21,27)(H,24,25)/b17-11-
InChIKey NAGRDRZORXZNKY-BOPFTXTBSA-N
Molecular Weight 382.434 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1117
Solvent DMSO-d6
Source Vendor ID: NMR/12269210