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acetamide, N-(3,4-difluorophenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 44ecAJXsiH7
InChI InChI=1S/C22H15F3N4OS/c23-15-6-4-5-14(11-15)21-27-28-22(29(21)17-7-2-1-3-8-17)31-13-20(30)26-16-9-10-18(24)19(25)12-16/h1-12H,13H2,(H,26,30)
InChIKey SOKDZISCMMLZDS-UHFFFAOYSA-N
Mol Weight 440.44 g/mol
Molecular Formula C22H15F3N4OS
Exact Mass 440.091867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 16b9mPa8EzQ
Name acetamide, N-(3,4-difluorophenyl)-2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.091866781 u
Formula C22H15F3N4OS
InChI InChI=1S/C22H15F3N4OS/c23-15-6-4-5-14(11-15)21-27-28-22(29(21)17-7-2-1-3-8-17)31-13-20(30)26-16-9-10-18(24)19(25)12-16/h1-12H,13H2,(H,26,30)
InChIKey SOKDZISCMMLZDS-UHFFFAOYSA-N
Molecular Weight 440.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12345
Solvent DMSO-d6
Source Vendor ID: NMR/10272340; Lab Info: SAD; Lab Number: SAD-1902295