| SpectraBase Compound ID | F6FBtjBi4wh |
|---|---|
| InChI | InChI=1S/C12H9ClFNO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3 |
| InChIKey | VUXXAVIGDIIYBQ-UHFFFAOYSA-N |
| Mol Weight | 269.66 g/mol |
| Molecular Formula | C12H9ClFNO3 |
| Exact Mass | 269.025499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjqeAdlvdPY |
|---|---|
| Name | 4-Isoxazolecarboxylic acid, 3-(2-chloro-6-fluorophenyl)-5-methyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.025499014 u |
| Formula | C12H9ClFNO3 |
| InChI | InChI=1S/C12H9ClFNO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3 |
| InChIKey | VUXXAVIGDIIYBQ-UHFFFAOYSA-N |
| Molecular Weight | 269.659 g/mol |
| SMILES | C1(=C(C(=CC=C1)F)C1=NOC(=C1C(OC)=O)C)Cl |