SpectraBase Spectrum ID |
5KZK1im0yPv |
Name |
1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-8-[[(4-fluorophenyl)methyl]thio]-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 |
478.043330538 u |
Formula |
C21H17Cl2FN4O2S |
InChI |
InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-13-5-8-15(22)16(23)9-13)20(25-18)31-11-12-3-6-14(24)7-4-12/h3-9H,10-11H2,1-2H3 |
InChIKey |
IXMDXVGBVGDRSV-UHFFFAOYSA-N |
Molecular Weight |
479.357 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8419 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9322364; Lab Info: SAD; Lab Number: SAD-1001230 |