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 |