| SpectraBase Compound ID | Euk1hy2Y9ZR |
|---|---|
| InChI | InChI=1S/C12H12FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-6,11H,2,7H2,1H3 |
| InChIKey | RHCUBRBISKVUAF-UHFFFAOYSA-N |
| Mol Weight | 237.23 g/mol |
| Molecular Formula | C12H12FNO3 |
| Exact Mass | 237.080121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xJHZtR37N0 |
|---|---|
| Name | 3-Isoxazolecarboxylic acid, 5-(4-fluorophenyl)-4,5-dihydro-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.080121410 u |
| Formula | C12H12FNO3 |
| InChI | InChI=1S/C12H12FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-6,11H,2,7H2,1H3 |
| InChIKey | RHCUBRBISKVUAF-UHFFFAOYSA-N |
| Molecular Weight | 237.230 g/mol |
| SMILES | CCOC(C1=NOC(C1)C1=CC=C(C=C1)F)=O |