| SpectraBase Compound ID | JnK6ffsL2ED |
|---|---|
| InChI | InChI=1S/C13H13FO2/c1-3-6-12(4-2)16-13(15)10-7-5-8-11(14)9-10/h5,7-9,12H,4H2,1-2H3 |
| InChIKey | JMDVXLOXFREVAM-UHFFFAOYSA-N |
| Mol Weight | 220.24 g/mol |
| Molecular Formula | C13H13FO2 |
| Exact Mass | 220.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnZGweKI4bt |
|---|---|
| Name | 3-Fluorobenzoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.089957820 u |
| Formula | C13H13FO2 |
| InChI | InChI=1S/C13H13FO2/c1-3-6-12(4-2)16-13(15)10-7-5-8-11(14)9-10/h5,7-9,12H,4H2,1-2H3 |
| InChIKey | JMDVXLOXFREVAM-UHFFFAOYSA-N |
| Molecular Weight | 220.243 g/mol |
| SMILES | C(=O)(OC(C#CC)CC)C=1C=C(C=CC1)F |