| SpectraBase Compound ID | 4NkbI27pt1G |
|---|---|
| InChI | InChI=1S/C17H9F15O2S/c1-34-9(7-33)10(35-8-5-3-2-4-6-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-7H,1H3/b10-9+ |
| InChIKey | IIDCAVCZUJLGAC-MDZDMXLPSA-N |
| Mol Weight | 562.29 g/mol |
| Molecular Formula | C17H9F15O2S |
| Exact Mass | 562.008373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9BQ6rUd9trl |
|---|---|
| Name | (E)-3-(Pentadecifluoroheptyl)-2-methoxy-3-phenylthiopropenal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H9F15O2S |
| InChI | InChI=1S/C17H9F15O2S/c1-34-9(7-33)10(35-8-5-3-2-4-6-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-7H,1H3/b10-9+ |
| InChIKey | IIDCAVCZUJLGAC-MDZDMXLPSA-N |
| Molecular Weight | 562.293 g/mol |
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(\C(=C\(C=O)OC)Sc1ccccc1)(F)F)(F)F)(F)F |
| SPLASH | splash10-03di-0900000000-18fb2e927189edc0b3d2 |
| Source of Spectrum | AT-35-6878-0 |
| Synonyms | (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxy-3-(phenylthio)-2-decenal (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxy-3-phenylsulfanyldec-2-enal (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxy-3-phenylsulfanyl-dec-2-enal (E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecakis(fluoranyl)-2-methoxy-3-phenylsulfanyl-dec-2-enal |
| Wiley ID | 852938 |