| SpectraBase Spectrum ID |
9vsfHzQqiW1 |
| Name |
1H-purine-2,6-dione, 8-[[(4-fluorophenyl)methyl]thio]-3,7-dihydro-1,3-dimethyl-7-octyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.199525525 u |
| Formula |
C22H29FN4O2S |
| InChI |
InChI=1S/C22H29FN4O2S/c1-4-5-6-7-8-9-14-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-15-16-10-12-17(23)13-11-16/h10-13H,4-9,14-15H2,1-3H3 |
| InChIKey |
PDMFGTQMNDXTLE-UHFFFAOYSA-N |
| Molecular Weight |
432.558 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6364 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9311291; Lab Info: SAD; Lab Number: SAD-das1057 |
![8-[(4-Fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/9vsfHzQqiW1/structure.png?h=300&w=458 "8-[(4-Fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione")
