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acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-N-(4-methylphenyl)-
SpectraBase Compound ID I3RmxxeL2Lq
InChI InChI=1S/C25H20FN3O3S/c1-16-2-7-19(8-3-16)27-24(30)14-33-25-28-21(13-29(25)20-9-5-18(26)6-10-20)17-4-11-22-23(12-17)32-15-31-22/h2-13H,14-15H2,1H3,(H,27,30)
InChIKey LXIKOCBVHQWRGN-UHFFFAOYSA-N
Mol Weight 461.51 g/mol
Molecular Formula C25H20FN3O3S
Exact Mass 461.120941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QiPRBXRmIK
Name acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-N-(4-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.120940850 u
Formula C25H20FN3O3S
InChI InChI=1S/C25H20FN3O3S/c1-16-2-7-19(8-3-16)27-24(30)14-33-25-28-21(13-29(25)20-9-5-18(26)6-10-20)17-4-11-22-23(12-17)32-15-31-22/h2-13H,14-15H2,1H3,(H,27,30)
InChIKey LXIKOCBVHQWRGN-UHFFFAOYSA-N
Molecular Weight 461.511 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4653
Solvent DMSO-d6
Source Vendor ID: NMR/13288299