| SpectraBase Compound ID | 3j8k0BcZqzF |
|---|---|
| InChI | InChI=1S/C24H26O6/c1-15(2)19(25)21(29-23(27)17-11-7-5-8-12-17)22(20(26)16(3)4)30-24(28)18-13-9-6-10-14-18/h5-16,21-22H,1-4H3/t21-,22-/m0/s1 |
| InChIKey | NJWIOSVRZABFBV-VXKWHMMOSA-N |
| Mol Weight | 410.47 g/mol |
| Molecular Formula | C24H26O6 |
| Exact Mass | 410.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BgILxGxMD7d |
|---|---|
| Name | (1R,2R)-2-(Benzoyloxy)-4-methyl-1-(2-methylpropanoyl)-3-oxopentyl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H26O6 |
| InChI | InChI=1S/C24H26O6/c1-15(2)19(25)21(29-23(27)17-11-7-5-8-12-17)22(20(26)16(3)4)30-24(28)18-13-9-6-10-14-18/h5-16,21-22H,1-4H3/t21-,22-/m0/s1 |
| InChIKey | NJWIOSVRZABFBV-VXKWHMMOSA-N |
| Molecular Weight | 410.466 g/mol |
| SMILES | C(c1ccccc1)(=O)O[C@]([C@](C(C(C)C)=O)(OC(c1ccccc1)=O)[H])(C(C(C)C)=O)[H] |
| SPLASH | splash10-0a4i-5900000000-36e7a1ffbd3b1a125a83 |
| Source of Spectrum | OV-689-329-2 |
| Synonyms | (1R,2R)-2-(benzoyloxy)-1-isobutyryl-4-methyl-3-oxopentyl benzoate benzoic acid[(1R,2R)-2-benzoyloxy-1-isobutyryl-3-keto-4-methyl-pentyl]ester benzoic acid[(4R,5R)-5-benzoyloxy-2,7-dimethyl-3,6-dioxooctan-4-yl]ester [(4R,5R)-2,7-dimethyl-3,6-bis(oxidanylidene)-5-(phenylcarbonyloxy)octan-4-yl]benzoate [(4R,5R)-5-benzoyloxy-2,7-dimethyl-3,6-dioxooctan-4-yl]benzoate benzoic acid [(4R,5R)-5-benzoyloxy-2,7-dimethyl-3,6-dioxooctan-4-yl] ester [(4R,5R)-5-benzoyloxy-2,7-dimethyl-3,6-dioxooctan-4-yl] benzoate [(1R,2R)-2-benzoyloxy-4-methyl-1-(2-methylpropanoyl)-3-oxo-pentyl] benzoate [(4R,5R)-2,7-dimethyl-3,6-bis(oxidanylidene)-5-(phenylcarbonyloxy)octan-4-yl] benzoate |
| Wiley ID | 1575820 |