| SpectraBase Compound ID | KAoLoYnkyfb |
|---|---|
| InChI | InChI=1S/C14H13F3O2/c1-3-5-12(4-2)19-13(18)10-6-8-11(9-7-10)14(15,16)17/h6-9,12H,4H2,1-2H3 |
| InChIKey | CFPNBHIGWOVRLH-UHFFFAOYSA-N |
| Mol Weight | 270.25 g/mol |
| Molecular Formula | C14H13F3O2 |
| Exact Mass | 270.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CxAoL1GpHs7 |
|---|---|
| Name | 4-(Trifluoromethyl)benzoic 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/c1-3-5-12(4-2)19-13(18)10-6-8-11(9-7-10)14(15,16)17/h6-9,12H,4H2,1-2H3 |
| InChIKey | CFPNBHIGWOVRLH-UHFFFAOYSA-N |
| Molecular Weight | 270.251 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(CC)C#CC)=O)C(F)(F)F |