| SpectraBase Spectrum ID |
E4UP3OZTmnW |
| Name |
2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.127088858 u |
| Formula |
C22H20FN5O3S |
| InChI |
InChI=1S/C22H20FN5O3S/c1-26-19-18(20(30)27(2)22(26)31)28(12-14-6-4-3-5-7-14)21(25-19)32-13-17(29)24-16-10-8-15(23)9-11-16/h3-11H,12-13H2,1-2H3,(H,24,29) |
| InChIKey |
HLOXXJUVDHNOPP-UHFFFAOYSA-N |
| Molecular Weight |
453.492 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_8762 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13228039 |
![2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide](/api/spectrum/E4UP3OZTmnW/structure.png?h=300&w=458 "2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide")
