| SpectraBase Spectrum ID |
5Kwi7xmvIOG |
| Name |
1-piperazinecarbothioamide, N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.226408978 u |
| Formula |
C22H31FN6OS |
| InChI |
InChI=1S/C22H31FN6OS/c1-3-5-20-19(21(30)29(26-20)18-8-6-17(23)7-9-18)16-24-10-11-27-12-14-28(15-13-27)22(31)25-4-2/h6-9,16,24H,3-5,10-15H2,1-2H3,(H,25,31)/b19-16+ |
| InChIKey |
HWYSJKWJBBJKSX-KNTRCKAVSA-N |
| Molecular Weight |
446.589 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14546 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11220380; Lab Info: PRE; Lab Number: PRE-s000067 |
![1-piperazinecarbothioamide, N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-](/api/spectrum/5Kwi7xmvIOG/structure.png?h=300&w=458 "1-piperazinecarbothioamide, N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-")
