| SpectraBase Spectrum ID |
HcSHoDAvlQW |
| Name |
3H-pyrazol-3-one, 4-[[[2-[(4-chlorophenyl)thio]ethyl]amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.107789344 u |
| Formula |
C21H21ClFN3OS |
| InChI |
InChI=1S/C21H21ClFN3OS/c1-2-3-20-19(14-24-12-13-28-18-10-4-15(22)5-11-18)21(27)26(25-20)17-8-6-16(23)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3/b19-14+ |
| InChIKey |
XTGHAHWUJHCDBC-XMHGGMMESA-N |
| Molecular Weight |
417.930 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15947 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11230055; Lab Info: PRE; Lab Number: PRE-s000131 |
![3H-pyrazol-3-one, 4-[[[2-[(4-chlorophenyl)thio]ethyl]amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-](/api/spectrum/HcSHoDAvlQW/structure.png?h=300&w=458 "3H-pyrazol-3-one, 4-[[[2-[(4-chlorophenyl)thio]ethyl]amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-")
