| SpectraBase Compound ID | 4Esxt54HoD3 |
|---|---|
| InChI | InChI=1S/C11H11F2NO3/c1-6(11(16)17-2)14-10(15)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3,(H,14,15) |
| InChIKey | SGUFQMWTZUKVFS-UHFFFAOYSA-N |
| Mol Weight | 243.21 g/mol |
| Molecular Formula | C11H11F2NO3 |
| Exact Mass | 243.0707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UaYCD9JFhE |
|---|---|
| Name | L-Alanine, N-(2,6-difluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.070699541 u |
| Formula | C11H11F2NO3 |
| InChI | InChI=1S/C11H11F2NO3/c1-6(11(16)17-2)14-10(15)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3,(H,14,15) |
| InChIKey | SGUFQMWTZUKVFS-UHFFFAOYSA-N |
| Molecular Weight | 243.210 g/mol |
| SMILES | CC(C(OC)=O)NC(=O)C1=C(C=CC=C1F)F |