![(1R,4R,E)-4-[2',6',6'-trimethyl-4'-(pentafluorophenoxythiocarbonyloxy)cyclohex-2'-enyl]but-3-en-2-one](/api/spectrum/4SMWd8zSvA/structure.png?h=300&w=458 "(1R,4R,E)-4-[2',6',6'-trimethyl-4'-(pentafluorophenoxythiocarbonyloxy)cyclohex-2'-enyl]but-3-en-2-one")
| SpectraBase Compound ID | 1hiKIoji8jb |
|---|---|
| InChI | InChI=1S/C20H19F5O3S/c1-9-7-11(8-20(3,4)12(9)6-5-10(2)26)27-19(29)28-18-16(24)14(22)13(21)15(23)17(18)25/h5-7,11-12H,8H2,1-4H3/b6-5+/t11-,12-/m0/s1 |
| InChIKey | JNVVEWIFFGVHAN-WTIVYXKASA-N |
| Mol Weight | 434.42 g/mol |
| Molecular Formula | C20H19F5O3S |
| Exact Mass | 434.097506 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4SMWd8zSvA |
|---|---|
| Name | (1R,4R,E)-4-[2',6',6'-trimethyl-4'-(pentafluorophenoxythiocarbonyloxy)cyclohex-2'-enyl]but-3-en-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H19F5O3S |
| InChI | InChI=1S/C20H19F5O3S/c1-9-7-11(8-20(3,4)12(9)6-5-10(2)26)27-19(29)28-18-16(24)14(22)13(21)15(23)17(18)25/h5-7,11-12H,8H2,1-4H3/b6-5+/t11-,12-/m0/s1 |
| InChIKey | JNVVEWIFFGVHAN-WTIVYXKASA-N |
| Molecular Weight | 434.421 g/mol |
| SMILES | c1(c(c(F)c(c(c1F)F)F)F)OC(O[C@]1(C=C(C)[C@@](C(C1)(C)C)(\C=C\C(=O)C)[H])[H])=S |
| SPLASH | splash10-00mp-1921100000-da13416b0dcfe3603abd |
| Source of Spectrum | B-48-145-0 |
| Synonyms | O-(2,3,4,5,6-pentafluorophenyl) O-{(1R,4R)-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl} thiocarbonate (E)-4-[(1R,4R)-2,6,6-trimethyl-4-[(2,3,4,5,6-pentafluorophenoxy)-sulfanylidenemethoxy]-1-cyclohex-2-enyl]-3-buten-2-one (E)-4-[(1R,4R)-2,6,6-trimethyl-4-(2,3,4,5,6-pentafluorophenoxy)carbothioyloxycyclohex-2-en-1-yl]but-3-en-2-one (E)-4-[(1R,4R)-2,6,6-trimethyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]carbothioyloxy-cyclohex-2-en-1-yl]but-3-en-2-one |
| Wiley ID | 1382858 |