| SpectraBase Spectrum ID |
8eqnIwPkdb7 |
| Name |
1,5-Dimethyl-4-(perfluoroethyl)-2-phenyl-1H-pyrazol-3(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.079153796 u |
| Formula |
C13H11F5N2O |
| InChI |
InChI=1S/C13H11F5N2O/c1-8-10(12(14,15)13(16,17)18)11(21)20(19(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChIKey |
JTCALSYVCFQCEM-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201705734 |
| Molecular Weight |
306.236 g/mol |
| Reported Formula |
C13H11N2OF5 |
| SMILES |
CC1=C(C(N(N1C)C1=CC=CC=C1)=O)C(C(F)(F)F)(F)F |
| SPLASH |
splash10-0a4i-0009000000-01bb9aec77a678fddf9a |
| Source of Spectrum |
ACI-56-SM14-3r (DOI: 10.1002/anie.201705734) |
| Wiley ID |
1896243 |
