SpectraBase Spectrum ID |
89YOxflWeyq |
Name |
4H-imidazol-4-one, 3-(3-chloro-4-methoxyphenyl)-5-[(4-ethylphenyl)methylene]-3,5-dihydro-2-(2-propenylthio)-, (5E)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.101226796 u |
Formula |
C22H21ClN2O2S |
InChI |
InChI=1S/C22H21ClN2O2S/c1-4-12-28-22-24-19(13-16-8-6-15(5-2)7-9-16)21(26)25(22)17-10-11-20(27-3)18(23)14-17/h4,6-11,13-14H,1,5,12H2,2-3H3/b19-13+ |
InChIKey |
VMLQCBDLFSNGDH-CPNJWEJPSA-N |
Molecular Weight |
412.935 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4812 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13288559 |