| SpectraBase Spectrum ID |
Khx9AOOezxH |
| Name |
3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[[2-[(4-methylphenyl)thio]ethyl]amino]methylene]-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 |
397.162411741 u |
| Formula |
C22H24FN3OS |
| InChI |
InChI=1S/C22H24FN3OS/c1-3-4-21-20(15-24-13-14-28-19-11-5-16(2)6-12-19)22(27)26(25-21)18-9-7-17(23)8-10-18/h5-12,15,24H,3-4,13-14H2,1-2H3/b20-15+ |
| InChIKey |
SXZRRLUFSOYPBJ-HMMYKYKNSA-N |
| Molecular Weight |
397.512 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15948 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11230056; Lab Info: PRE; Lab Number: PRE-s000132 |
![3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[[2-[(4-methylphenyl)thio]ethyl]amino]methylene]-5-propyl-, (4E)-](/api/spectrum/Khx9AOOezxH/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[[2-[(4-methylphenyl)thio]ethyl]amino]methylene]-5-propyl-, (4E)-")
