| SpectraBase Compound ID | K1639DBPX3f |
|---|---|
| InChI | InChI=1S/C13H12FNO3/c1-8-12(7-17-9(2)16)13(15-18-8)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3 |
| InChIKey | JHVGOHHRPJGBLB-UHFFFAOYSA-N |
| Mol Weight | 249.24 g/mol |
| Molecular Formula | C13H12FNO3 |
| Exact Mass | 249.080121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVKH3i8aFbG |
|---|---|
| Name | 3-(4-Fluorophenyl)-5-methyl-4-isoxazolemethanol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.080121410 u |
| Formula | C13H12FNO3 |
| InChI | InChI=1S/C13H12FNO3/c1-8-12(7-17-9(2)16)13(15-18-8)10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3 |
| InChIKey | JHVGOHHRPJGBLB-UHFFFAOYSA-N |
| Molecular Weight | 249.241 g/mol |
| SMILES | C1(=NOC(=C1COC(C)=O)C)C1=CC=C(C=C1)F |