SpectraBase Compound ID | 4KIQX8eDlea |
---|---|
InChI | InChI=1S/C21H22ClN3O2S/c1-27-12-6-11-23-18(26)14-28-21-19(15-7-3-2-4-8-15)24-20(25-21)16-9-5-10-17(22)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,26)(H,24,25) |
InChIKey | YNUBLMHXDFTEQR-UHFFFAOYSA-N |
Mol Weight | 415.94 g/mol |
Molecular Formula | C21H22ClN3O2S |
Exact Mass | 415.112126 g/mol |
SpectraBase Spectrum ID | E6DAs46x0QZ |
---|---|
Name | acetamide, 2-[[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]thio]-N-(3-methoxypropyl)- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 415.112125832 u |
Formula | C21H22ClN3O2S |
InChI | InChI=1S/C21H22ClN3O2S/c1-27-12-6-11-23-18(26)14-28-21-19(15-7-3-2-4-8-15)24-20(25-21)16-9-5-10-17(22)13-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,23,26)(H,24,25) |
InChIKey | YNUBLMHXDFTEQR-UHFFFAOYSA-N |
Molecular Weight | 415.939 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_1390 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13248599 |