![4-(Acetyloxy)-5-[(acetyloxy)methylene]-2-[(5'-methyl-1'-methylenehex-4'-en-2'-ynyl) .alpha.-methoxy-.alpha.-[(trifluoromethyl)benzene]acetate](/api/spectrum/5xnzcV8Yydn/structure.png?h=300&w=458 "4-(Acetyloxy)-5-[(acetyloxy)methylene]-2-[(5'-methyl-1'-methylenehex-4'-en-2'-ynyl) .alpha.-methoxy-.alpha.-[(trifluoromethyl)benzene]acetate")
| SpectraBase Compound ID | GRct29wb0cM |
|---|---|
| InChI | InChI=1S/C29H31F3O7/c1-18(2)11-10-12-19(3)24-16-25(38-21(5)34)22(17-37-20(4)33)15-26(24)39-27(35)28(36-6,29(30,31)32)23-13-8-7-9-14-23/h7-9,11,13-14,17,24-26H,3,15-16H2,1-2,4-6H3/b22-17-/t24-,25+,26+,28-/m0/s1 |
| InChIKey | ZQBYWPIQUFZEFU-JLNOKPEJSA-N |
| Mol Weight | 548.56 g/mol |
| Molecular Formula | C29H31F3O7 |
| Exact Mass | 548.202188 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5xnzcV8Yydn |
|---|---|
| Name | 4-(Acetyloxy)-5-[(acetyloxy)methylene]-2-[(5'-methyl-1'-methylenehex-4'-en-2'-ynyl) .alpha.-methoxy-.alpha.-[(trifluoromethyl)benzene]acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H31F3O7 |
| InChI | InChI=1S/C29H31F3O7/c1-18(2)11-10-12-19(3)24-16-25(38-21(5)34)22(17-37-20(4)33)15-26(24)39-27(35)28(36-6,29(30,31)32)23-13-8-7-9-14-23/h7-9,11,13-14,17,24-26H,3,15-16H2,1-2,4-6H3/b22-17-/t24-,25+,26+,28-/m0/s1 |
| InChIKey | ZQBYWPIQUFZEFU-JLNOKPEJSA-N |
| Molecular Weight | 548.555 g/mol |
| SMILES | [C@](C(O[C@]1([C@@](C[C@](\C(C1)=C/OC(=O)C)(OC(=O)C)[H])(C(C#CC=C(C)C)=C)[H])[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH | splash10-01ox-9040010000-c75325d77f170ca97459 |
| Source of Spectrum | H-83-700-6 |
| Wiley ID | 846889 |