| SpectraBase Spectrum ID |
7xZhCNutQAx |
| Name |
2-{[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.094645915 u |
| Formula |
C16H15N5O2S |
| InChI |
InChI=1S/C16H15N5O2S/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)24-9-11-7-5-4-6-10(11)8-17/h4-7H,9H2,1-3H3 |
| InChIKey |
GPIWLDXLOGEKOQ-UHFFFAOYSA-N |
| Molecular Weight |
341.389 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_994 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12269055 |
![2-{[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile](/api/spectrum/7xZhCNutQAx/structure.png?h=300&w=458 "2-{[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile")
