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4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-5-[(4-ethylphenyl)methylene]-3,5-dihydro-2-(propylthio)-, (5E)-
SpectraBase Compound ID HKRNIIFkcWb
InChI InChI=1S/C22H23ClN2O2S/c1-4-12-28-22-24-19(13-16-8-6-15(5-2)7-9-16)21(26)25(22)17-10-11-20(27-3)18(23)14-17/h6-11,13-14H,4-5,12H2,1-3H3/b19-13+
InChIKey IHVTYTYMIVEZEY-CPNJWEJPSA-N
Mol Weight 414.95 g/mol
Molecular Formula C22H23ClN2O2S
Exact Mass 414.116877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tAJNFrdKIF
Name 4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-5-[(4-ethylphenyl)methylene]-3,5-dihydro-2-(propylthio)-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.116876861 u
Formula C22H23ClN2O2S
InChI InChI=1S/C22H23ClN2O2S/c1-4-12-28-22-24-19(13-16-8-6-15(5-2)7-9-16)21(26)25(22)17-10-11-20(27-3)18(23)14-17/h6-11,13-14H,4-5,12H2,1-3H3/b19-13+
InChIKey IHVTYTYMIVEZEY-CPNJWEJPSA-N
Molecular Weight 414.951 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4814
Solvent DMSO-d6
Source Vendor ID: NMR/13288561