| SpectraBase Spectrum ID |
HtVVB2GK3h0 |
| Name |
1-benzyl-4-(2-[(3-chlorobenzyl)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 |
567.097260248 u |
| Formula |
C29H27Cl2N3OS2 |
| InChI |
InChI=1S/C29H26ClN3OS2.ClH/c30-22-10-6-9-21(17-22)19-35-29-31-26-24-11-4-5-12-25(24)36-27(26)28(34)33(29)23-13-15-32(16-14-23)18-20-7-2-1-3-8-20;/h1-12,17,23H,13-16,18-19H2;1H |
| InChIKey |
FEJGEVRZHYOOAD-UHFFFAOYSA-N |
| Molecular Weight |
568.581 g/mol |
| NMR Offset |
17.9985 |
| NMR Spectrometer Frequency |
500.136 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9830 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13229899 |
![1-benzyl-4-(2-[(3-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride](/api/spectrum/HtVVB2GK3h0/structure.png?h=300&w=458 "1-benzyl-4-(2-[(3-chlorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride")
