| SpectraBase Spectrum ID |
A8ruy0WhP9H |
| Name |
1,4-benzenedicarboxylic acid, 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl 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 |
461.117605135 u |
| Formula |
C22H24ClN3O4S |
| InChI |
InChI=1S/C22H24ClN3O4S/c1-14-4-6-16(23)13-19(14)25-8-10-26(11-9-25)22(31)24-18-12-15(20(27)29-2)5-7-17(18)21(28)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,31) |
| InChIKey |
IDTXCLDTHYIUOV-UHFFFAOYSA-N |
| Molecular Weight |
461.964 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1026 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239611 |
![1,4-benzenedicarboxylic acid, 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester](/api/spectrum/A8ruy0WhP9H/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester")
