| SpectraBase Compound ID | 4ADp8PBywRF |
|---|---|
| InChI | InChI=1S/C16H10F4O/c1-4-11-12(17)14(19)16(15(20)13(11)18)21-10-6-8(2)5-9(3)7-10/h1,5-7H,2-3H3 |
| InChIKey | MSIYLVSDQACKTL-UHFFFAOYSA-N |
| Mol Weight | 294.25 g/mol |
| Molecular Formula | C16H10F4O |
| Exact Mass | 294.066778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9nBi0KWcCI |
|---|---|
| Name | para-(3,5-Dimethylphenoxy)tetrafluorophenylacetylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.066777593 u |
| Formula | C16H10F4O |
| InChI | InChI=1S/C16H10F4O/c1-4-11-12(17)14(19)16(15(20)13(11)18)21-10-6-8(2)5-9(3)7-10/h1,5-7H,2-3H3 |
| InChIKey | MSIYLVSDQACKTL-UHFFFAOYSA-N |
| Molecular Weight | 294.249 g/mol |
| SMILES | c1(c(c(F)c(c(c1F)F)C#C)F)Oc1cc(C)cc(c1)C |