SpectraBase Spectrum ID |
9asBsUmy2Qr |
Name |
1H-purine-2,6-dione, 7-[(3,4-dichlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(1-methyl-1H-imidazol-2-yl)thio]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
450.043250351 u |
Formula |
C18H16Cl2N6O2S |
InChI |
InChI=1S/C18H16Cl2N6O2S/c1-23-7-6-21-16(23)29-17-22-14-13(15(27)25(3)18(28)24(14)2)26(17)9-10-4-5-11(19)12(20)8-10/h4-8H,9H2,1-3H3 |
InChIKey |
YQFOWRYXKWZYBG-UHFFFAOYSA-N |
Molecular Weight |
451.332 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_5692 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9311329; Lab Info: SAD; Lab Number: SAD-das1104 |