SpectraBase Spectrum ID |
Ct2ACgMkcGA |
Name |
1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[[4-(phenylmethyl)-4H-1,2,4-triazol-3-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 |
383.116443987 u |
Formula |
C17H17N7O2S |
InChI |
InChI=1S/C17H17N7O2S/c1-21-12-13(22(2)17(26)23(3)14(12)25)19-15(21)27-16-20-18-10-24(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3 |
InChIKey |
PWXYPRMRXNDBMC-UHFFFAOYSA-N |
Molecular Weight |
383.430 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8327 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9321742; Lab Info: LP; Lab Number: LP-3701115 |