SpectraBase Spectrum ID |
G04B5cXqb58 |
Name |
acetic acid, [[(4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylene]-4,5-dihydro-5-oxo-1H-imidazol-2-yl]thio]-, ethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
458.106706099 u |
Formula |
C23H23ClN2O4S |
InChI |
InChI=1S/C23H23ClN2O4S/c1-4-15-6-8-16(9-7-15)12-19-22(28)26(17-10-11-20(29-3)18(24)13-17)23(25-19)31-14-21(27)30-5-2/h6-13H,4-5,14H2,1-3H3/b19-12+ |
InChIKey |
QSXYUWGYMVMGNX-XDHOZWIPSA-N |
Molecular Weight |
458.960 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4811 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13288558 |