| SpectraBase Compound ID | BuljYreWKy3 |
|---|---|
| InChI | InChI=1S/C16H7F13O2/c1-31-9-5-2-8(3-6-9)4-7-10(30)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-3,5-6H,1H3 |
| InChIKey | UQLWWMSVQCIHQE-UHFFFAOYSA-N |
| Mol Weight | 478.21 g/mol |
| Molecular Formula | C16H7F13O2 |
| Exact Mass | 478.023846 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HTEHwLFbaRD |
|---|---|
| Name | (4-Methoxyphenyl)acetylenyl n-Perfluorohexyl Ketone |
| Alternate Name(s) | 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-(4-methoxy-phenyl)-non-1-yn-3-one 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-(4-methoxyphenyl)-1-nonyn-3-one 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)-1-(4-methoxyphenyl)non-1-yn-3-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H7F13O2 |
| InChI | InChI=1S/C16H7F13O2/c1-31-9-5-2-8(3-6-9)4-7-10(30)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-3,5-6H,1H3 |
| InChIKey | UQLWWMSVQCIHQE-UHFFFAOYSA-N |
| Molecular Weight | 478.209 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C#Cc1ccc(cc1)OC)=O)(F)F)(F)F)(F)F |
| SPLASH | splash10-0a4i-0900100000-7b642789dd103476ba28 |
| Source of Spectrum | U1-2010-7016-2j |
| Wiley ID | 1664730 |