| SpectraBase Compound ID | AyocvNC2i9Z |
|---|---|
| InChI | InChI=1S/C11H12FNO3/c1-7(11(15)16-2)13-10(14)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,14) |
| InChIKey | PDVYKTYSCACORC-UHFFFAOYSA-N |
| Mol Weight | 225.22 g/mol |
| Molecular Formula | C11H12FNO3 |
| Exact Mass | 225.080121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQMOz8VmDj5 |
|---|---|
| Name | L-Alanine, N-(3-fluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.080121410 u |
| Formula | C11H12FNO3 |
| InChI | InChI=1S/C11H12FNO3/c1-7(11(15)16-2)13-10(14)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,14) |
| InChIKey | PDVYKTYSCACORC-UHFFFAOYSA-N |
| Molecular Weight | 225.219 g/mol |
| SMILES | C(C)(C(OC)=O)NC(=O)C1=CC(=CC=C1)F |