![5-[para-(4-Methylphenoxy)tetrafluorophenyl]penta-2,4-diyn-1-ol](/api/spectrum/I05KDmU1Btq/structure.png?h=300&w=458 "5-[para-(4-Methylphenoxy)tetrafluorophenyl]penta-2,4-diyn-1-ol")
| SpectraBase Compound ID | 8EMT7O2O1WV |
|---|---|
| InChI | InChI=1S/C18H10F4O2/c1-11-6-8-12(9-7-11)24-18-16(21)14(19)13(15(20)17(18)22)5-3-2-4-10-23/h6-9,23H,10H2,1H3 |
| InChIKey | APKMXFMLZVDLFZ-UHFFFAOYSA-N |
| Mol Weight | 334.27 g/mol |
| Molecular Formula | C18H10F4O2 |
| Exact Mass | 334.061692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I05KDmU1Btq |
|---|---|
| Name | 5-[para-(4-Methylphenoxy)tetrafluorophenyl]penta-2,4-diyn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.061692212 u |
| Formula | C18H10F4O2 |
| InChI | InChI=1S/C18H10F4O2/c1-11-6-8-12(9-7-11)24-18-16(21)14(19)13(15(20)17(18)22)5-3-2-4-10-23/h6-9,23H,10H2,1H3 |
| InChIKey | APKMXFMLZVDLFZ-UHFFFAOYSA-N |
| Molecular Weight | 334.270 g/mol |
| SMILES | OCC#CC#Cc1c(c(c(c(c1F)F)Oc1ccc(cc1)C)F)F |