| SpectraBase Spectrum ID |
B0wM0WxXv9V |
| Name |
acetic acid, [[7-[(2-chloro-4-fluorophenyl)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 |
412.040831980 u |
| Formula |
C16H14ClFN4O4S |
| InChI |
InChI=1S/C16H14ClFN4O4S/c1-20-13-12(14(25)21(2)16(20)26)22(15(19-13)27-7-11(23)24)6-8-3-4-9(18)5-10(8)17/h3-5H,6-7H2,1-2H3,(H,23,24) |
| InChIKey |
KZNVQMRGHNQCKM-UHFFFAOYSA-N |
| Molecular Weight |
412.823 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5689 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9311322; Lab Info: SAD; Lab Number: SAD-das1097 |
![acetic acid, [[7-[(2-chloro-4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-](/api/spectrum/B0wM0WxXv9V/structure.png?h=300&w=458 "acetic acid, [[7-[(2-chloro-4-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-")
