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4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-5-[(4-ethylphenyl)methylene]-2-(ethylthio)-3,5-dihydro-, (5E)-
SpectraBase Compound ID 4DcLi8vilAJ
InChI InChI=1S/C21H21ClN2O2S/c1-4-14-6-8-15(9-7-14)12-18-20(25)24(21(23-18)27-5-2)16-10-11-19(26-3)17(22)13-16/h6-13H,4-5H2,1-3H3/b18-12+
InChIKey CPFSXPLDOKCBPD-LDADJPATSA-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 CT1iJh9OXbn
Name 4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-5-[(4-ethylphenyl)methylene]-2-(ethylthio)-3,5-dihydro-, (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 400.101226796 u
Formula C21H21ClN2O2S
InChI InChI=1S/C21H21ClN2O2S/c1-4-14-6-8-15(9-7-14)12-18-20(25)24(21(23-18)27-5-2)16-10-11-19(26-3)17(22)13-16/h6-13H,4-5H2,1-3H3/b18-12+
InChIKey CPFSXPLDOKCBPD-LDADJPATSA-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_4810
Solvent DMSO-d6
Source Vendor ID: NMR/13288557