| SpectraBase Spectrum ID |
GYLHd8WTUrg |
| Name |
1,5-Dimethyl-2-phenyl-4-(2-(trifluoromethyl)aziridin-1-yl)-1,2-dihydro-3H-pyrazol-3-one |
| Appearance |
Off-white solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.108896571 u |
| Formula |
C14H14F3N3O |
| InChI |
InChI=1S/C14H14F3N3O/c1-9-12(19-8-11(19)14(15,16)17)13(21)20(18(9)2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3 |
| InChIKey |
UDMDMOUIHLZTCW-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
297.281 g/mol |
| Quality |
211 |
| Reported Formula |
C14H15F3N3O |
| SMILES |
CC1=C(C(N(N1C)C1=CC=CC=C1)=O)N1C(C1)C(F)(F)F |
| SPLASH |
splash10-0a4i-9120000000-c9f9641dd4f8de2dcf50 |
| Source of Spectrum |
ACI-57-SM31-3z (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.48 (hexanes/ethyl acetate, 1:1) |
| Wiley ID |
1891062 |
