| SpectraBase Spectrum ID |
1jJ0Pxmti6i |
| Name |
1H-purine-2,6-dione, 8-(1,3-benzodioxol-5-yloxy)-7-[(2-chloro-4-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.079325489 u |
| Formula |
C21H16ClFN4O5 |
| InChI |
InChI=1S/C21H16ClFN4O5/c1-25-18-17(19(28)26(2)21(25)29)27(9-11-3-4-12(23)7-14(11)22)20(24-18)32-13-5-6-15-16(8-13)31-10-30-15/h3-8H,9-10H2,1-2H3 |
| InChIKey |
JRICKMKBJFAAGX-UHFFFAOYSA-N |
| Molecular Weight |
458.833 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10339 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10241197; Lab Info: SAD; Lab Number: SAD-0001836 |
