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4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-3,5-dihydro-5-[(4-methylphenyl)methylene]-2-(propylthio)-, (5Z)-
SpectraBase Compound ID D6YR60gl58F
InChI InChI=1S/C21H21ClN2O2S/c1-4-11-27-21-23-18(12-15-7-5-14(2)6-8-15)20(25)24(21)16-9-10-19(26-3)17(22)13-16/h5-10,12-13H,4,11H2,1-3H3/b18-12-
InChIKey KKBQNGLAIKTPJD-PDGQHHTCSA-N
Mol Weight 400.92 g/mol
Molecular Formula C21H21ClN2O2S
Exact Mass 400.101227 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9LTS6mbQGF
Name 4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-3,5-dihydro-5-[(4-methylphenyl)methylene]-2-(propylthio)-, (5Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.101226796 u
Formula C21H21ClN2O2S
InChI InChI=1S/C21H21ClN2O2S/c1-4-11-27-21-23-18(12-15-7-5-14(2)6-8-15)20(25)24(21)16-9-10-19(26-3)17(22)13-16/h5-10,12-13H,4,11H2,1-3H3/b18-12-
InChIKey KKBQNGLAIKTPJD-PDGQHHTCSA-N
Molecular Weight 400.924 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4870
Solvent DMSO-d6
Source Vendor ID: NMR/13288675