| SpectraBase Spectrum ID |
K5eaZREQhUL |
| Name |
benzoic acid, 4-[[[[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]amino]carbonothioyl]amino]-, ethyl 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 |
444.199525525 u |
| Formula |
C23H29FN4O2S |
| InChI |
InChI=1S/C23H29FN4O2S/c1-2-30-22(29)18-8-10-19(11-9-18)26-23(31)25-12-5-13-27-14-16-28(17-15-27)21-7-4-3-6-20(21)24/h3-4,6-11H,2,5,12-17H2,1H3,(H2,25,26,31) |
| InChIKey |
GTOSEGLSLUGYLX-UHFFFAOYSA-N |
| Molecular Weight |
444.569 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_534 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239028 |
![benzoic acid, 4-[[[[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]amino]carbonothioyl]amino]-, ethyl ester](/api/spectrum/K5eaZREQhUL/structure.png?h=300&w=458 "benzoic acid, 4-[[[[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]amino]carbonothioyl]amino]-, ethyl ester")
