| SpectraBase Compound ID | ChbypCpkNx6 |
|---|---|
| InChI | InChI=1S/C26H30O6/c1-25(2,3)21(27)19(31-23(29)17-13-9-7-10-14-17)20(22(28)26(4,5)6)32-24(30)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3/t19-,20-/m1/s1 |
| InChIKey | QCEQJYHTVNKIKH-WOJBJXKFSA-N |
| Mol Weight | 438.52 g/mol |
| Molecular Formula | C26H30O6 |
| Exact Mass | 438.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ks6Nk3CA5oz |
|---|---|
| Name | (1R,2R)-2-(Benzoyloxy)-4,4-dimethyl-1-(2,2-dimethylpropanoyl)-3-oxopentyl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H30O6 |
| InChI | InChI=1S/C26H30O6/c1-25(2,3)21(27)19(31-23(29)17-13-9-7-10-14-17)20(22(28)26(4,5)6)32-24(30)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3/t19-,20-/m1/s1 |
| InChIKey | QCEQJYHTVNKIKH-WOJBJXKFSA-N |
| Molecular Weight | 438.520 g/mol |
| SMILES | C(c1ccccc1)(=O)O[C@]([C@](C(C(C)(C)C)=O)(OC(c1ccccc1)=O)[H])(C(C(C)(C)C)=O)[H] |
| SPLASH | splash10-0a4i-7900000000-a5e258dbecbfd3873a8a |
| Source of Spectrum | OV-689-329-2 |
| Synonyms | (1R,2R)-2-(benzoyloxy)-1-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxopentyl benzoate benzoic acid [(4R,5R)-5-benzoyloxy-2,2,7,7-tetramethyl-3,6-dioxooctan-4-yl] ester [(4R,5R)-5-benzoyloxy-2,2,7,7-tetramethyl-3,6-dioxooctan-4-yl] benzoate [(1R,2R)-2-benzoyloxy-1-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-oxo-pentyl] benzoate [(4R,5R)-2,2,7,7-tetramethyl-3,6-bis(oxidanylidene)-5-(phenylcarbonyloxy)octan-4-yl] benzoate |
| Wiley ID | 1575819 |