| SpectraBase Spectrum ID |
KP6cewUlVqC |
| Name |
1-(p-Chlorobenzyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.033204376 u |
| Formula |
C14H10ClF3N2O3 |
| InChI |
InChI=1S/C14H10ClF3N2O3/c1-2-23-13(22)10-7-11(14(16,17)18)19-20(10)12(21)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3 |
| InChIKey |
SOXVRFOIDREYEF-UHFFFAOYSA-N |
| Molecular Weight |
346.693 g/mol |
| SMILES |
C(F)(F)(F)C1=NN(C(=C1)C(OCC)=O)C(C=1C=CC(=CC1)Cl)=O |
