| SpectraBase Spectrum ID |
I1y2w3KUuMs |
| Name |
3H-pyrazol-3-one, 4-[[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]thio]-1,2-dihydro-5-methyl-2-phenyl- |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.997745388 u |
| Formula |
C13H9ClF6N2O2S |
| InChI |
InChI=1S/C13H9ClF6N2O2S/c1-7-9(10(23)22(21-7)8-5-3-2-4-6-8)25-12(16,17)11(14,15)24-13(18,19)20/h2-6,21H,1H3 |
| InChIKey |
WUNBXKBWLNWSOT-UHFFFAOYSA-N |
| Molecular Weight |
406.730 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15504 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10036350; Lab Info: SIZ; Lab Number: SIZ-0417067 |
![4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one](/api/spectrum/I1y2w3KUuMs/structure.png?h=300&w=458 "4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one")
