| SpectraBase Spectrum ID |
K0NGEI0KWaE |
| Name |
acetic acid, [[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-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 |
428.076610638 u |
| Formula |
C17H15F3N4O4S |
| InChI |
InChI=1S/C17H15F3N4O4S/c1-22-13-12(14(27)23(2)16(22)28)24(15(21-13)29-8-11(25)26)7-9-4-3-5-10(6-9)17(18,19)20/h3-6H,7-8H2,1-2H3,(H,25,26) |
| InChIKey |
NBILXXNSGNHLEZ-UHFFFAOYSA-N |
| Molecular Weight |
428.386 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8441 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9322458; Lab Info: SAD; Lab Number: SAD-1001349 |
![({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid](/api/spectrum/K0NGEI0KWaE/structure.png?h=300&w=458 "({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid")
