| SpectraBase Spectrum ID |
IUQhrQp1cpL |
| Name |
[(2E)-1-{4-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-oxo-4-phenyl-3-(pyridin-1-ium-1-yl)but-2-en-2-yl]sulfanide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.087118182 u |
| Formula |
C23H18N4O2S2 |
| InChI |
InChI=1S/C23H18N4O2S2/c1-31-23-26-25-21(29-23)17-10-12-18(13-11-17)24-22(30)19(27-14-6-3-7-15-27)20(28)16-8-4-2-5-9-16/h2-15H,1H3,(H-,24,25,28,30) |
| InChIKey |
GMYZZFBMYPQUGJ-UHFFFAOYSA-N |
| Molecular Weight |
446.543 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10273 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10241688; Lab Info: RGG; Lab Number: RGG-0400009 |
| Temperature |
23.85 °C |
![[(2E)-1-{4-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-oxo-4-phenyl-3-(pyridin-1-ium-1-yl)but-2-en-2-yl]sulfanide](/api/spectrum/IUQhrQp1cpL/structure.png?h=300&w=458 "[(2E)-1-{4-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}-4-oxo-4-phenyl-3-(pyridin-1-ium-1-yl)but-2-en-2-yl]sulfanide")
