SpectraBase Spectrum ID |
IXPTxTiPnkG |
Name |
2H-purin-2-one, 1,3,6,7-tetrahydro-7-methyl-3-(phenylmethyl)-6-thioxo- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.073182195 u |
Formula |
C13H12N4OS |
InChI |
InChI=1S/C13H12N4OS/c1-16-8-14-11-10(16)12(19)15-13(18)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19) |
InChIKey |
KERAOQDCCCRYKN-UHFFFAOYSA-N |
Molecular Weight |
272.326 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_12035 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10271817; Lab Info: LD; Lab Number: LD-4300009 |