| SpectraBase Spectrum ID |
AKfd62yx8wJ |
| Name |
1,4-benzenedicarboxylic acid, 2-[[[4-(2,5-dimethylphenyl)-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 |
441.172227531 u |
| Formula |
C23H27N3O4S |
| InChI |
InChI=1S/C23H27N3O4S/c1-15-5-6-16(2)20(13-15)25-9-11-26(12-10-25)23(31)24-19-14-17(21(27)29-3)7-8-18(19)22(28)30-4/h5-8,13-14H,9-12H2,1-4H3,(H,24,31) |
| InChIKey |
DXFXFKJILILZQD-UHFFFAOYSA-N |
| Molecular Weight |
441.546 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1019 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239604 |
![1,4-benzenedicarboxylic acid, 2-[[[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester](/api/spectrum/AKfd62yx8wJ/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester")
