| SpectraBase Spectrum ID |
JeRoRRAJx3C |
| Name |
1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.100098808 u |
| Formula |
C22H18ClF2N7S |
| InChI |
InChI=1S/C22H18ClF2N7S/c23-17-13-16(5-6-18(17)25)26-22(33)31-11-9-30(10-12-31)20-8-7-19-27-28-21(32(19)29-20)14-1-3-15(24)4-2-14/h1-8,13H,9-12H2,(H,26,33) |
| InChIKey |
IFPXGZQARSWDAM-UHFFFAOYSA-N |
| Molecular Weight |
485.945 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_2913 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12689579 |
![1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-](/api/spectrum/JeRoRRAJx3C/structure.png?h=300&w=458 "1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-")
