| SpectraBase Compound ID | 5jcoc0L5KXi |
|---|---|
| InChI | InChI=1S/C11H9FO2/c1-3-8(2)14-11(13)9-5-4-6-10(12)7-9/h1,4-8H,2H3 |
| InChIKey | GEWCXAXFDVCNKH-UHFFFAOYSA-N |
| Mol Weight | 192.19 g/mol |
| Molecular Formula | C11H9FO2 |
| Exact Mass | 192.058658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OW4m2smWuW |
|---|---|
| Name | 3-Fluorobenzoic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.058657691 u |
| Formula | C11H9FO2 |
| InChI | InChI=1S/C11H9FO2/c1-3-8(2)14-11(13)9-5-4-6-10(12)7-9/h1,4-8H,2H3 |
| InChIKey | GEWCXAXFDVCNKH-UHFFFAOYSA-N |
| Molecular Weight | 192.189 g/mol |
| SMILES | C(=O)(OC(C)C#C)C=1C=C(C=CC1)F |