| SpectraBase Spectrum ID |
BIwDmJ7231P |
| Name |
acetic acid, [(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-, methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.089226181 u |
| Formula |
C12H16N4O4S |
| InChI |
InChI=1S/C12H16N4O4S/c1-5-16-8-9(13-11(16)21-6-7(17)20-4)14(2)12(19)15(3)10(8)18/h5-6H2,1-4H3 |
| InChIKey |
YLROFJFQYJTOLS-UHFFFAOYSA-N |
| Molecular Weight |
312.344 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3554 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9235139; Lab Info: LP; Lab Number: LP-3701004 |
| Temperature |
29.85 °C |
![acetic acid, [(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-, methyl ester](/api/spectrum/BIwDmJ7231P/structure.png?h=300&w=458 "acetic acid, [(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-, methyl ester")
