| SpectraBase Spectrum ID |
peuooohxUl |
| Name |
4-benzyl-1-(3-chlorophenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-ylium iodide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.034591627 u |
| Formula |
C21H23ClIN3S |
| InChI |
InChI=1S/C21H22ClN3S.HI/c1-26-20-24-19(23-17-10-4-2-5-11-17)21(13-6-3-7-14-21)25(20)18-12-8-9-16(22)15-18;/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3;1H/b23-19-; |
| InChIKey |
UGIISWJAAXJEIL-PDEWKSAASA-N |
| Molecular Weight |
511.853 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_135 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8031747; Lab Info: NPTP; Lab Number: NPTP-0001372 |
| Temperature |
29.85 °C |
![4-benzyl-1-(3-chlorophenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-ylium iodide](/api/spectrum/peuooohxUl/structure.png?h=300&w=458 "4-benzyl-1-(3-chlorophenyl)-2-(methylsulfanyl)-1,3-diazaspiro[4.5]dec-2-en-4-ylium iodide")
