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4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-3,5-dihydro-5-[[4-(1-methylethoxy)phenyl]methylene]-2-(methylthio)-, (5E)-
SpectraBase Compound ID GkJmLztB2I7
InChI InChI=1S/C21H21ClN2O3S/c1-13(2)27-16-8-5-14(6-9-16)11-18-20(25)24(21(23-18)28-4)15-7-10-19(26-3)17(22)12-15/h5-13H,1-4H3/b18-11+
InChIKey LALXJBCAYIFTBT-WOJGMQOQSA-N
Mol Weight 416.92 g/mol
Molecular Formula C21H21ClN2O3S
Exact Mass 416.096141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9tEJR957pI
Name 4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-3,5-dihydro-5-[[4-(1-methylethoxy)phenyl]methylene]-2-(methylthio)-, (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 416.096141415 u
Formula C21H21ClN2O3S
InChI InChI=1S/C21H21ClN2O3S/c1-13(2)27-16-8-5-14(6-9-16)11-18-20(25)24(21(23-18)28-4)15-7-10-19(26-3)17(22)12-15/h5-13H,1-4H3/b18-11+
InChIKey LALXJBCAYIFTBT-WOJGMQOQSA-N
Molecular Weight 416.923 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4792
Solvent DMSO-d6
Source Vendor ID: NMR/13288538