| SpectraBase Spectrum ID |
9K5KCBRQ9zB |
| Name |
acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
553.079837471 u |
| Formula |
C23H19ClF3N5O4S |
| InChI |
InChI=1S/C23H19ClF3N5O4S/c1-30-19-18(20(34)31(2)22(30)35)32(11-13-4-3-5-14(24)10-13)21(29-19)37-12-17(33)28-15-6-8-16(9-7-15)36-23(25,26)27/h3-10H,11-12H2,1-2H3,(H,28,33) |
| InChIKey |
QPRXEBRLQOLKKX-UHFFFAOYSA-N |
| Molecular Weight |
553.944 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6102 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10310738; Lab Info: SAD; Lab Number: 8 |
![acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-](/api/spectrum/9K5KCBRQ9zB/structure.png?h=300&w=458 "acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-")
