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ethanone, 1-(4-bromophenyl)-2-[[5-[[(3,4-dichlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID FxQBu5XFiT4
InChI InChI=1S/C23H17BrCl2N4OS/c24-16-8-6-15(7-9-16)21(31)14-32-23-29-28-22(30(23)18-4-2-1-3-5-18)13-27-17-10-11-19(25)20(26)12-17/h1-12,27H,13-14H2
InChIKey QPFXWKQXMNFCGC-UHFFFAOYSA-N
Mol Weight 548.29 g/mol
Molecular Formula C23H17BrCl2N4OS
Exact Mass 545.968351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cqh2adxsF8c
Name ethanone, 1-(4-bromophenyl)-2-[[5-[[(3,4-dichlorophenyl)amino]methyl]-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 545.968350756 u
Formula C23H17BrCl2N4OS
InChI InChI=1S/C23H17BrCl2N4OS/c24-16-8-6-15(7-9-16)21(31)14-32-23-29-28-22(30(23)18-4-2-1-3-5-18)13-27-17-10-11-19(25)20(26)12-17/h1-12,27H,13-14H2
InChIKey QPFXWKQXMNFCGC-UHFFFAOYSA-N
Molecular Weight 548.286 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18485
Solvent DMSO-d6
Source Vendor ID: NMR/11270216; Lab Info: DEM; Lab Number: 1411