| SpectraBase Compound ID | Ls7Lf8dCR8c |
|---|---|
| InChI | InChI=1S/C13H16FNO3/c1-2-8-18-12(16)6-7-15-13(17)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3,(H,15,17) |
| InChIKey | JYZGENXNIZQTKS-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 | 8Ig8KFwirYv |
|---|---|
| Name | .beta.-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/c1-2-8-18-12(16)6-7-15-13(17)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3,(H,15,17) |
| InChIKey | JYZGENXNIZQTKS-UHFFFAOYSA-N |
| Molecular Weight | 253.273 g/mol |
| SMILES | C1=C(C=CC=C1C(NCCC(OCCC)=O)=O)F |