| SpectraBase Spectrum ID |
K4l5sjzmyaR |
| Name |
acetic acid, [[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-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 |
394.050253849 u |
| Formula |
C16H15ClN4O4S |
| InChI |
InChI=1S/C16H15ClN4O4S/c1-19-13-12(14(24)20(2)16(19)25)21(15(18-13)26-8-11(22)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H,22,23) |
| InChIKey |
MSEIJQOZCQQWDD-UHFFFAOYSA-N |
| Molecular Weight |
394.833 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8412 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9322340; Lab Info: SAD; Lab Number: SAD-1001200 |
![acetic acid, [[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-](/api/spectrum/K4l5sjzmyaR/structure.png?h=300&w=458 "acetic acid, [[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-")
