SpectraBase Spectrum ID |
G6cmGRA3tVE |
Name |
propanamide, 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-[[2-oxo-2-(phenylamino)ethyl]thio]-6-benzothiazolyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
734.216752627 u |
Formula |
C39H38N6O3S3 |
InChI |
InChI=1S/C39H38N6O3S3/c1-26(37(47)41-30-19-22-33-34(23-30)51-39(42-33)49-25-36(46)40-29-13-7-3-8-14-29)50-38-44-43-35(45(38)31-15-9-4-10-16-31)24-48-32-20-17-28(18-21-32)27-11-5-2-6-12-27/h3-4,7-10,13-23,26-27H,2,5-6,11-12,24-25H2,1H3,(H,40,46)(H,41,47) |
InChIKey |
OWZHPRTYIHCODW-UHFFFAOYSA-N |
Molecular Weight |
734.952 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_9401 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9253644; Lab Info: LP; Lab Number: LP-0607101 |