SpectraBase Spectrum ID |
4JBIjqimxtf |
Name |
Ethyl 3-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propanoate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
312.108562218 u |
Formula |
C15H15F3N2O2 |
InChI |
InChI=1S/C15H15F3N2O2/c1-2-22-14(21)9-8-11-10-13(15(16,17)18)20(19-11)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3 |
InChIKey |
XKNRIMLXJMPIIV-UHFFFAOYSA-N |
Molecular Weight |
312.292 g/mol |
SMILES |
C=1(N(N=C(C1)CCC(=O)OCC)C1=CC=CC=C1)C(F)(F)F |