| SpectraBase Spectrum ID |
CTD4lNXSpjv |
| Name |
1-benzyl-4-(2-[(2-fluorobenzyl)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 |
551.126810711 u |
| Formula |
C29H27ClFN3OS2 |
| InChI |
InChI=1S/C29H26FN3OS2.ClH/c30-24-12-6-4-10-21(24)19-35-29-31-26-23-11-5-7-13-25(23)36-27(26)28(34)33(29)22-14-16-32(17-15-22)18-20-8-2-1-3-9-20;/h1-13,22H,14-19H2;1H |
| InChIKey |
LIKFZXNTFGJRRP-UHFFFAOYSA-N |
| Molecular Weight |
552.126 g/mol |
| NMR Offset |
17.9982 |
| NMR Spectrometer Frequency |
500.136 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9828 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13229897 |
![1-benzyl-4-(2-[(2-fluorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride](/api/spectrum/CTD4lNXSpjv/structure.png?h=300&w=458 "1-benzyl-4-(2-[(2-fluorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride")
