![3-[2,3,4,5-Tetrafluoro-6-(3-hydroxyprop-1-ynyl)-phenyl]-prop-2-yn-1-ol](/api/spectrum/Ohm1mqgPhp/structure.png?h=300&w=458 "3-[2,3,4,5-Tetrafluoro-6-(3-hydroxyprop-1-ynyl)-phenyl]-prop-2-yn-1-ol")
| SpectraBase Compound ID | CWKVISGanKy |
|---|---|
| InChI | InChI=1S/C12H6F4O2/c13-9-7(3-1-5-17)8(4-2-6-18)10(14)12(16)11(9)15/h17-18H,5-6H2 |
| InChIKey | RETMDQIXYGQNHY-UHFFFAOYSA-N |
| Mol Weight | 258.17 g/mol |
| Molecular Formula | C12H6F4O2 |
| Exact Mass | 258.030392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ohm1mqgPhp |
|---|---|
| Name | 3-[2,3,4,5-Tetrafluoro-6-(3-hydroxyprop-1-ynyl)-phenyl]-prop-2-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.030392083 u |
| Formula | C12H6F4O2 |
| InChI | InChI=1S/C12H6F4O2/c13-9-7(3-1-5-17)8(4-2-6-18)10(14)12(16)11(9)15/h17-18H,5-6H2 |
| InChIKey | RETMDQIXYGQNHY-UHFFFAOYSA-N |
| Molecular Weight | 258.172 g/mol |
| SMILES | C1(F)=C(F)C(F)=C(F)C(=C1C#CCO)C#CCO |