| SpectraBase Spectrum ID |
FmxxKF1raZp |
| Name |
1,4-benzenedicarboxylic acid, 2-[[[4-(2-fluorophenyl)-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 |
431.131505533 u |
| Formula |
C21H22FN3O4S |
| InChI |
InChI=1S/C21H22FN3O4S/c1-28-19(26)14-7-8-15(20(27)29-2)17(13-14)23-21(30)25-11-9-24(10-12-25)18-6-4-3-5-16(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,30) |
| InChIKey |
ZFXPEMKWJXGIRD-UHFFFAOYSA-N |
| Molecular Weight |
431.482 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1353 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13248536 |
![1,4-benzenedicarboxylic acid, 2-[[[4-(2-fluorophenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester](/api/spectrum/FmxxKF1raZp/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[[4-(2-fluorophenyl)-1-piperazinyl]carbonothioyl]amino]-, dimethyl ester")
