| SpectraBase Compound ID | 9rnPtymcdhc |
|---|---|
| InChI | InChI=1S/C9H11F3N2O2/c1-2-16-8(15)4-3-6-5-7(14-13-6)9(10,11)12/h5H,2-4H2,1H3,(H,13,14) |
| InChIKey | MBKZGVXUBNNCGW-UHFFFAOYSA-N |
| Mol Weight | 236.19 g/mol |
| Molecular Formula | C9H11F3N2O2 |
| Exact Mass | 236.077262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35ezHJGANRp |
|---|---|
| Name | Ethyl 3-(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 | 236.077262089 u |
| Formula | C9H11F3N2O2 |
| InChI | InChI=1S/C9H11F3N2O2/c1-2-16-8(15)4-3-6-5-7(14-13-6)9(10,11)12/h5H,2-4H2,1H3,(H,13,14) |
| InChIKey | MBKZGVXUBNNCGW-UHFFFAOYSA-N |
| Molecular Weight | 236.194 g/mol |
| SMILES | C=1(C(F)(F)F)NN=C(C1)CCC(=O)OCC |