| SpectraBase Spectrum ID |
HMdj0rBB8q2 |
| Name |
1,4-benzenedicarboxylic acid, 2-[[(4-cyclohexyl-1-piperazinyl)carbonothioyl]amino]-, dimethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.187877596 u |
| Formula |
C21H29N3O4S |
| InChI |
InChI=1S/C21H29N3O4S/c1-27-19(25)15-8-9-17(20(26)28-2)18(14-15)22-21(29)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,22,29) |
| InChIKey |
HUBJDBMGTOPWHY-UHFFFAOYSA-N |
| Molecular Weight |
419.540 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_820 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239257 |
![1,4-benzenedicarboxylic acid, 2-[[(4-cyclohexyl-1-piperazinyl)carbonothioyl]amino]-, dimethyl ester](/api/spectrum/HMdj0rBB8q2/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[(4-cyclohexyl-1-piperazinyl)carbonothioyl]amino]-, dimethyl ester")
