| SpectraBase Spectrum ID |
4bpWNh8P2z8 |
| Name |
1-piperazinecarbothioamide, N-(4-fluorophenyl)-4-[2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.216987109 u |
| Formula |
C26H30F2N6OS |
| InChI |
InChI=1S/C26H30F2N6OS/c1-2-3-24-23(25(35)34(31-24)22-10-6-20(28)7-11-22)18-29-12-13-32-14-16-33(17-15-32)26(36)30-21-8-4-19(27)5-9-21/h4-11,18,29H,2-3,12-17H2,1H3,(H,30,36)/b23-18- |
| InChIKey |
MSQOYENOYXFFQM-NKFKGCMQSA-N |
| Molecular Weight |
512.624 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6127 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11220382; Lab Info: PRE; Lab Number: PRE-s000069 |
