| SpectraBase Spectrum ID |
80fRYBb6NNM |
| Name |
1-Methyl-3-propyl-4-(2-(trifluoromethyl)aziridin-1-yl)-1H-pyrazole-5-carboxamide |
| Appearance |
Off-white solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.119795607 u |
| Formula |
C11H15F3N4O |
| InChI |
InChI=1S/C11H15F3N4O/c1-3-4-6-8(9(10(15)19)17(2)16-6)18-5-7(18)11(12,13)14/h7H,3-5H2,1-2H3,(H2,15,19) |
| InChIKey |
GJEIBYNIQBTVRH-UHFFFAOYSA-N |
| Instrument Name |
Agilent 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802347 |
| Molecular Weight |
276.263 g/mol |
| Quality |
312 |
| Reported Formula |
C11H16F3N4O |
| SMILES |
NC(C1=C(C(=NN1C)CCC)N1C(C1)C(F)(F)F)=O |
| SPLASH |
splash10-00or-6590000000-317c894bee886644a49e |
| Source of Spectrum |
ACI-57-SM30-3y (DOI: 10.1002/anie.201802347) |
| Thin-Layer Chromatography |
0.23 (hexanes/ethyl acetate, 1:1) |
| Wiley ID |
1891061 |
