| SpectraBase Compound ID | Kt48YZHyXlc |
|---|---|
| InChI | InChI=1S/C10H7FO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1,3-6H,7H2 |
| InChIKey | GWCLKVQZSSOWDA-UHFFFAOYSA-N |
| Mol Weight | 178.16 g/mol |
| Molecular Formula | C10H7FO2 |
| Exact Mass | 178.043008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QANFhShwoo |
|---|---|
| Name | 4-Fluorobenzoic acid, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.043007626 u |
| Formula | C10H7FO2 |
| InChI | InChI=1S/C10H7FO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h1,3-6H,7H2 |
| InChIKey | GWCLKVQZSSOWDA-UHFFFAOYSA-N |
| Molecular Weight | 178.162 g/mol |
| SMILES | C(C1=CC=C(C=C1)F)(OCC#C)=O |