| SpectraBase Compound ID | 6RX1CiAIvgq |
|---|---|
| InChI | InChI=1S/C13H16FNO3/c1-3-7-18-13(17)9(2)15-12(16)10-5-4-6-11(14)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,15,16) |
| InChIKey | ODABWFGUTPHXAT-UHFFFAOYSA-N |
| Mol Weight | 253.27 g/mol |
| Molecular Formula | C13H16FNO3 |
| Exact Mass | 253.111422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25OEJnmjsTW |
|---|---|
| Name | L-Alanine, N-(3-fluorobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.111421539 u |
| Formula | C13H16FNO3 |
| InChI | InChI=1S/C13H16FNO3/c1-3-7-18-13(17)9(2)15-12(16)10-5-4-6-11(14)8-10/h4-6,8-9H,3,7H2,1-2H3,(H,15,16) |
| InChIKey | ODABWFGUTPHXAT-UHFFFAOYSA-N |
| Molecular Weight | 253.273 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C)C(OCCC)=O)=O)F |