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4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-2-[[2-(4-fluorophenoxy)ethyl]thio]-3,5-dihydro-5-[[4-(1-methylethoxy)phenyl]methylene]-,
SpectraBase Compound ID GvpMS4IxeO5
InChI InChI=1S/C28H26ClFN2O4S/c1-18(2)36-23-9-4-19(5-10-23)16-25-27(33)32(21-8-13-26(34-3)24(29)17-21)28(31-25)37-15-14-35-22-11-6-20(30)7-12-22/h4-13,16-18H,14-15H2,1-3H3/b25-16+
InChIKey AAOGHWKYCPCYCG-PCLIKHOPSA-N
Mol Weight 541.04 g/mol
Molecular Formula C28H26ClFN2O4S
Exact Mass 540.128584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IjuGkyhZZLC
Name 4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-2-[[2-(4-fluorophenoxy)ethyl]thio]-3,5-dihydro-5-[[4-(1-methylethoxy)phenyl]methylene]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.128584358 u
Formula C28H26ClFN2O4S
InChI InChI=1S/C28H26ClFN2O4S/c1-18(2)36-23-9-4-19(5-10-23)16-25-27(33)32(21-8-13-26(34-3)24(29)17-21)28(31-25)37-15-14-35-22-11-6-20(30)7-12-22/h4-13,16-18H,14-15H2,1-3H3/b25-16+
InChIKey AAOGHWKYCPCYCG-PCLIKHOPSA-N
Molecular Weight 541.037 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4798
Solvent DMSO-d6
Source Vendor ID: NMR/13288544