| SpectraBase Compound ID | E2ui1GuPpin |
|---|---|
| InChI | InChI=1S/C15H17FN2O2/c1-9(2)18-10(3)13(15(19)20-4)14(17-18)11-5-7-12(16)8-6-11/h5-9H,1-4H3 |
| InChIKey | FHAOJPQHDMGXQI-UHFFFAOYSA-N |
| Mol Weight | 276.31 g/mol |
| Molecular Formula | C15H17FN2O2 |
| Exact Mass | 276.127406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOGktePcsc3 |
|---|---|
| Name | Methyl 3-(4-fluorophenyl)-1-isopropyl-5-methyl-1H-pyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.127405956 u |
| Formula | C15H17FN2O2 |
| InChI | InChI=1S/C15H17FN2O2/c1-9(2)18-10(3)13(15(19)20-4)14(17-18)11-5-7-12(16)8-6-11/h5-9H,1-4H3 |
| InChIKey | FHAOJPQHDMGXQI-UHFFFAOYSA-N |
| Molecular Weight | 276.311 g/mol |
| SMILES | C=1(N(N=C(C1C(OC)=O)C1=CC=C(C=C1)F)C(C)C)C |