| SpectraBase Compound ID | 9RUbRDpIfRD |
|---|---|
| InChI | InChI=1S/C13H11ClFNO3/c1-3-18-13(17)10-7(2)19-16-12(10)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3 |
| InChIKey | PPLHLTAXAFQXGE-UHFFFAOYSA-N |
| Mol Weight | 283.69 g/mol |
| Molecular Formula | C13H11ClFNO3 |
| Exact Mass | 283.041149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXKxMqYBguK |
|---|---|
| Name | 4-Isoxazolecarboxylic acid, 3-(2-chloro-6-fluorophenyl)-5-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.041149078 u |
| Formula | C13H11ClFNO3 |
| InChI | InChI=1S/C13H11ClFNO3/c1-3-18-13(17)10-7(2)19-16-12(10)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3 |
| InChIKey | PPLHLTAXAFQXGE-UHFFFAOYSA-N |
| Molecular Weight | 283.686 g/mol |
| SMILES | C1(=C(C=CC=C1Cl)F)C1=NOC(=C1C(OCC)=O)C |