| SpectraBase Compound ID | DCrx4pfMKYD |
|---|---|
| InChI | InChI=1S/C13H16FNO3/c1-2-9-18-12(16)7-8-15-13(17)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,17) |
| InChIKey | IMXAWXOVWAWUON-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 | Cjqd2Uq8QU9 |
|---|---|
| Name | .beta.-Alanine, N-(4-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/c1-2-9-18-12(16)7-8-15-13(17)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,17) |
| InChIKey | IMXAWXOVWAWUON-UHFFFAOYSA-N |
| Molecular Weight | 253.273 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCC)=O)=O)F |