| SpectraBase Spectrum ID |
A77EFwG3Ivf |
| Name |
5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.172227531 u |
| Formula |
C27H27N3O4S |
| InChI |
InChI=1S/C27H27N3O4S/c1-27(2)12-17-22(18(31)13-27)21(23-24(28-17)29-26(35)30-25(23)32)16-9-10-19(20(11-16)33-3)34-14-15-7-5-4-6-8-15/h4-11,21H,12-14H2,1-3H3,(H3,28,29,30,32,35) |
| InChIKey |
IIFUXBZLXYRZSW-UHFFFAOYSA-N |
| Molecular Weight |
489.590 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_2291 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12266201; Lab Info: KOL; Lab Number: KN -0602055 |
![5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione](/api/spectrum/A77EFwG3Ivf/structure.png?h=300&w=458 "5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione")
