| SpectraBase Compound ID | 3AdJkGCQH2S |
|---|---|
| InChI | InChI=1S/C17H13FO2/c1-10(17(19)20)13-3-2-4-14-15(13)8-6-11-5-7-12(18)9-16(11)14/h2-10H,1H3,(H,19,20) |
| InChIKey | IVWOEOXBHDSCJB-UHFFFAOYSA-N |
| Mol Weight | 268.29 g/mol |
| Molecular Formula | C17H13FO2 |
| Exact Mass | 268.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XAYtYEuP2I |
|---|---|
| Name | 2-(6-Fluoranylphenanthren-1-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.089957820 u |
| Formula | C17H13FO2 |
| InChI | InChI=1S/C17H13FO2/c1-10(17(19)20)13-3-2-4-14-15(13)8-6-11-5-7-12(18)9-16(11)14/h2-10H,1H3,(H,19,20) |
| InChIKey | IVWOEOXBHDSCJB-UHFFFAOYSA-N |
| Molecular Weight | 268.287 g/mol |
| SMILES | C(C(C)C=1C=CC=C2C3=CC(=CC=C3C=CC12)F)(=O)O |