| SpectraBase Spectrum ID |
6zaXI7AKzR1 |
| Name |
1,4-benzenedicarboxylic acid, 2-[[[4-(3-chlorophenyl)-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 |
447.101955070 u |
| Formula |
C21H22ClN3O4S |
| InChI |
InChI=1S/C21H22ClN3O4S/c1-28-19(26)14-6-7-17(20(27)29-2)18(12-14)23-21(30)25-10-8-24(9-11-25)16-5-3-4-15(22)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,23,30) |
| InChIKey |
AYEIJIOEFAOTHA-UHFFFAOYSA-N |
| Molecular Weight |
447.937 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1009 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239593 |
![1,4-benzenedicarboxylic acid, 2-[[[4-(3-chlorophenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester](/api/spectrum/6zaXI7AKzR1/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[[4-(3-chlorophenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester")
