| SpectraBase Compound ID | 36sLq3mX9et |
|---|---|
| InChI | InChI=1S/C19H15F3O4S/c1-14-10-12-16(13-11-14)27(24,25)26-17(18(23)19(20,21)22)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9- |
| InChIKey | FEUHFZIMHMXHQD-WIXUPIFPSA-N |
| Mol Weight | 396.38 g/mol |
| Molecular Formula | C19H15F3O4S |
| Exact Mass | 396.064315 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FJFyURbG137 |
|---|---|
| Name | (3Z,5E)-1,1,1-Trifluoro-6-phenyl-3-(tosyloxy)hexa-3,5-dien-2-one |
| Alternate Name(s) | (1Z,3E)-4-phenyl-1-(trifluoroacetyl)-1,3-butadienyl 4-methylbenzenesulfonate (3Z,5E)-1,1,1-Trifluoro-6-phenyl-3-(toyloxy)hexa-3,5-dien-2-one 4-methylbenzenesulfonic acid[(1Z,3E)-4-phenyl-1-(2,2,2-trifluoroacetyl)buta-1,3-dienyl]ester 4-methylbenzenesulfonic acid[(3Z,5E)-1,1,1-trifluoro-2-oxo-6-phenylhexa-3,5-dien-3-yl]ester [(1Z,3E)-4-phenyl-1-(2,2,2-trifluoroacetyl)buta-1,3-dienyl]4-methylbenzenesulfonate [(3Z,5E)-1,1,1-trifluoro-2-oxo-6-phenylhexa-3,5-dien-3-yl]4-methylbenzenesulfonate [(3Z,5E)-1,1,1-tris(fluoranyl)-2-oxidanylidene-6-phenyl-hexa-3,5-dien-3-yl]4-methylbenzenesulfonate 4-methylbenzenesulfonic acid [(3Z,5E)-1,1,1-trifluoro-2-oxo-6-phenylhexa-3,5-dien-3-yl] ester [(3Z,5E)-1,1,1-trifluoro-2-oxo-6-phenylhexa-3,5-dien-3-yl] 4-methylbenzenesulfonate [(1Z,3E)-4-phenyl-1-(2,2,2-trifluoroacetyl)buta-1,3-dienyl] 4-methylbenzenesulfonate [(3Z,5E)-1,1,1-tris(fluoranyl)-2-oxidanylidene-6-phenyl-hexa-3,5-dien-3-yl] 4-methylbenzenesulfonate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H15F3O4S |
| InChI | InChI=1S/C19H15F3O4S/c1-14-10-12-16(13-11-14)27(24,25)26-17(18(23)19(20,21)22)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5+,17-9- |
| InChIKey | FEUHFZIMHMXHQD-WIXUPIFPSA-N |
| Molecular Weight | 396.380 g/mol |
| SMILES | C(\C(OS(c1ccc(cc1)C)(=O)=O)=C\C=C\c1ccccc1)(C(F)(F)F)=O |
| SPLASH | splash10-0006-0092000000-38d0f39172ca990bf74b |
| Source of Spectrum | KC-0-2422-7 |
| Wiley ID | 826009 |