| SpectraBase Compound ID | FU8sbM8qdCc |
|---|---|
| InChI | InChI=1S/C14H13F3O2/c1-3-6-12(4-2)19-13(18)10-7-5-8-11(9-10)14(15,16)17/h5,7-9,12H,4H2,1-2H3 |
| InChIKey | RBXLPMKFNMAKTG-UHFFFAOYSA-N |
| Mol Weight | 270.25 g/mol |
| Molecular Formula | C14H13F3O2 |
| Exact Mass | 270.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUePg148ifv |
|---|---|
| Name | 3-Trifluoromethylbenzoic 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 | 270.086764146 u |
| Formula | C14H13F3O2 |
| InChI | InChI=1S/C14H13F3O2/c1-3-6-12(4-2)19-13(18)10-7-5-8-11(9-10)14(15,16)17/h5,7-9,12H,4H2,1-2H3 |
| InChIKey | RBXLPMKFNMAKTG-UHFFFAOYSA-N |
| Molecular Weight | 270.251 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC(C#CC)CC)=O)C(F)(F)F |