| SpectraBase Spectrum ID |
6H0mg6fVWwX |
| Name |
propanoic acid, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-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 |
442.092260702 u |
| Formula |
C18H17F3N4O4S |
| InChI |
InChI=1S/C18H17F3N4O4S/c1-9(15(27)28)30-16-22-13-12(14(26)24(3)17(29)23(13)2)25(16)8-10-5-4-6-11(7-10)18(19,20)21/h4-7,9H,8H2,1-3H3,(H,27,28) |
| InChIKey |
YUCODADOTZLXPI-UHFFFAOYSA-N |
| Molecular Weight |
442.413 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6258 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9301269; Lab Info: SAD; Lab Number: SAD-DAST902 |
![propanoic acid, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-](/api/spectrum/6H0mg6fVWwX/structure.png?h=300&w=458 "propanoic acid, 2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-1H-purin-8-yl]thio]-")
