| SpectraBase Spectrum ID |
6e22ISg5GE6 |
| Name |
2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.096954591 u |
| Formula |
C22H19N3OS2 |
| InChI |
InChI=1S/C22H19N3OS2/c1-2-3-12-25-21(26)20-19(17-10-6-7-11-18(17)28-20)24-22(25)27-14-16-9-5-4-8-15(16)13-23/h4-11H,2-3,12,14H2,1H3 |
| InChIKey |
BBWDNLARIHDDCZ-UHFFFAOYSA-N |
| Molecular Weight |
405.534 g/mol |
| NMR Offset |
17.9982 |
| NMR Spectrometer Frequency |
500.136 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9851 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13229924 |
![2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile](/api/spectrum/6e22ISg5GE6/structure.png?h=300&w=458 "2-{[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile")
