| SpectraBase Compound ID | 7IFBtONPJux |
|---|---|
| InChI | InChI=1S/C17H16FNO3/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)11-13/h2-9,11,15H,10H2,1H3,(H,19,20) |
| InChIKey | SQUNXHNZPDBHRA-UHFFFAOYSA-N |
| Mol Weight | 301.32 g/mol |
| Molecular Formula | C17H16FNO3 |
| Exact Mass | 301.111422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICfPuYS0fU |
|---|---|
| Name | L-Phenylalanine, N-(3-fluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.111421539 u |
| Formula | C17H16FNO3 |
| InChI | InChI=1S/C17H16FNO3/c1-22-17(21)15(10-12-6-3-2-4-7-12)19-16(20)13-8-5-9-14(18)11-13/h2-9,11,15H,10H2,1H3,(H,19,20) |
| InChIKey | SQUNXHNZPDBHRA-UHFFFAOYSA-N |
| Molecular Weight | 301.317 g/mol |
| SMILES | C1=C(C=CC=C1)CC(C(OC)=O)NC(=O)C1=CC=CC(=C1)F |