| SpectraBase Spectrum ID |
8m7cUzuJYBV |
| Name |
1,4-benzenedicarboxylic acid, 2-[[[4-(4-nitrophenyl)-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 |
458.126005612 u |
| Formula |
C21H22N4O6S |
| InChI |
InChI=1S/C21H22N4O6S/c1-30-19(26)14-3-8-17(20(27)31-2)18(13-14)22-21(32)24-11-9-23(10-12-24)15-4-6-16(7-5-15)25(28)29/h3-8,13H,9-12H2,1-2H3,(H,22,32) |
| InChIKey |
AASYVDHVKBEVNZ-UHFFFAOYSA-N |
| Molecular Weight |
458.489 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_817 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239253 |
![1,4-benzenedicarboxylic acid, 2-[[[4-(4-nitrophenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester](/api/spectrum/8m7cUzuJYBV/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[[4-(4-nitrophenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester")
