| SpectraBase Spectrum ID |
ADVI4Ojxhca |
| Name |
1-(2-chlorobenzyl)-3,7-dimethyl-8-sulfanyl-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 |
336.044774547 u |
| Formula |
C14H13ClN4O2S |
| InChI |
InChI=1S/C14H13ClN4O2S/c1-17-10-11(16-13(17)22)18(2)14(21)19(12(10)20)7-8-5-3-4-6-9(8)15/h3-6H,7H2,1-2H3,(H,16,22) |
| InChIKey |
YMAHHHZHRSQJIW-UHFFFAOYSA-N |
| Molecular Weight |
336.797 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_959 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12269004 |
