| SpectraBase Spectrum ID |
IGpkwImyxVD |
| Name |
2-{[(3-isopentyl-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 |
419.112604655 u |
| Formula |
C23H21N3OS2 |
| InChI |
InChI=1S/C23H21N3OS2/c1-15(2)11-12-26-22(27)21-20(18-9-5-6-10-19(18)29-21)25-23(26)28-14-17-8-4-3-7-16(17)13-24/h3-10,15H,11-12,14H2,1-2H3 |
| InChIKey |
IYFFCYQCFMTXPN-UHFFFAOYSA-N |
| Molecular Weight |
419.561 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_6650 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12328931 |
![2-{[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile](/api/spectrum/IGpkwImyxVD/structure.png?h=300&w=458 "2-{[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}benzonitrile")
