| 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 |
![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~-](/api/spectrum/LUp07aOJYev/structure.png?h=300&w=458 "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~-")
