SpectraBase Spectrum ID |
LUp07aOJYev |
Name |
1,3,5-triazine-2,4-diamine, 6-[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-N~2~- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
538.226328791 u |
Formula |
C29H30N8OS |
InChI |
InChI=1S/C29H30N8OS/c1-29(2,3)20-14-16-23(17-15-20)38-18-25-35-36-28(37(25)22-12-8-5-9-13-22)39-19-24-32-26(30)34-27(33-24)31-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H3,30,31,32,33,34) |
InChIKey |
APWXUUUOFBYSOS-UHFFFAOYSA-N |
Molecular Weight |
538.674 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_13938 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10300312; Lab Info: LP; Lab Number: LP-2180470 |