| SpectraBase Spectrum ID |
8EESv86I0wj |
| Name |
1-benzyl-4-(2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
558.131481552 u |
| Formula |
C30H27ClN4OS2 |
| InChI |
InChI=1S/C30H26N4OS2.ClH/c31-18-22-10-4-5-11-23(22)20-36-30-32-27-25-12-6-7-13-26(25)37-28(27)29(35)34(30)24-14-16-33(17-15-24)19-21-8-2-1-3-9-21;/h1-13,24H,14-17,19-20H2;1H |
| InChIKey |
ZVIZANGPFLDQDS-UHFFFAOYSA-N |
| Molecular Weight |
559.146 g/mol |
| NMR Offset |
18.0007 |
| NMR Spectrometer Frequency |
500.136 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9825 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13229891 |
![1-benzyl-4-(2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride](/api/spectrum/8EESv86I0wj/structure.png?h=300&w=458 "1-benzyl-4-(2-[(2-cyanobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride")
