![(1S*, 1' R*)-1-{4'-(Methoxycarbonyl)methyl]-1'-(phenylsulfonyl)cyclopent-2'-enyl]pentyl 3"-Trifluoromethylbenzoate](/api/spectrum/AdIKKrvQETe/structure.png?h=300&w=458 "(1S*, 1' R*)-1-{4'-(Methoxycarbonyl)methyl]-1'-(phenylsulfonyl)cyclopent-2'-enyl]pentyl 3\"-Trifluoromethylbenzoate")
| SpectraBase Compound ID | 82TKl2fBNV3 |
|---|---|
| InChI | InChI=1S/C27H29F3O6S/c1-3-4-13-23(36-25(32)20-9-8-10-21(17-20)27(28,29)30)26(15-14-19(18-26)16-24(31)35-2)37(33,34)22-11-6-5-7-12-22/h5-12,14-15,17,19,23H,3-4,13,16,18H2,1-2H3/t19?,23-,26-/m1/s1 |
| InChIKey | CNQNHUPAYGHTCI-JUKYCCKQSA-N |
| Mol Weight | 538.58 g/mol |
| Molecular Formula | C27H29F3O6S |
| Exact Mass | 538.163694 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AdIKKrvQETe |
|---|---|
| Name | (1S*, 1' R*)-1-{4'-(Methoxycarbonyl)methyl]-1'-(phenylsulfonyl)cyclopent-2'-enyl]pentyl 3"-Trifluoromethylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H29F3O6S |
| InChI | InChI=1S/C27H29F3O6S/c1-3-4-13-23(36-25(32)20-9-8-10-21(17-20)27(28,29)30)26(15-14-19(18-26)16-24(31)35-2)37(33,34)22-11-6-5-7-12-22/h5-12,14-15,17,19,23H,3-4,13,16,18H2,1-2H3/t19?,23-,26-/m1/s1 |
| InChIKey | CNQNHUPAYGHTCI-JUKYCCKQSA-N |
| Molecular Weight | 538.578 g/mol |
| SMILES | [C@]1(S(=O)(=O)c2ccccc2)(C=CC(C1)CC(=O)OC)[C@](OC(c1cc(C(F)(F)F)ccc1)=O)(CCCC)[H] |
| SPLASH | splash10-0a4j-2792000000-4aae502921118e9edb88 |
| Source of Spectrum | K1-2003-4647-6 |
| Wiley ID | 1521771 |