| SpectraBase Spectrum ID |
qNNpTzrOv2 |
| Name |
8-[(3-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.136925267 u |
| Formula |
C22H21FN4O2S |
| InChI |
InChI=1S/C22H21FN4O2S/c1-14-7-4-5-9-16(14)12-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-13-15-8-6-10-17(23)11-15/h4-11H,12-13H2,1-3H3 |
| InChIKey |
YJLGVPJWFCKOFT-UHFFFAOYSA-N |
| Molecular Weight |
424.494 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_5263 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12318569 |
![8-[(3-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/qNNpTzrOv2/structure.png?h=300&w=458 "8-[(3-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione")
