| SpectraBase Compound ID | E1ljSMyFun1 |
|---|---|
| InChI | InChI=1S/C15H20O6/c1-19-14(20-2)9-8-12(16)13(17)10-21-15(18)11-6-4-3-5-7-11/h3-9,12-14,16-17H,10H2,1-2H3/b9-8+/t12-,13+/m0/s1 |
| InChIKey | HHDWTBXCHKFXBK-AYSSICMYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C15H20O6 |
| Exact Mass | 296.125988 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AY1oiuWmSis |
|---|---|
| Name | (2E,4S,5R)-6-Benzoyloxy-4,5-dihydroxy-2-hexenal dimethyl acetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O6 |
| InChI | InChI=1S/C15H20O6/c1-19-14(20-2)9-8-12(16)13(17)10-21-15(18)11-6-4-3-5-7-11/h3-9,12-14,16-17H,10H2,1-2H3/b9-8+/t12-,13+/m0/s1 |
| InChIKey | HHDWTBXCHKFXBK-AYSSICMYSA-N |
| Molecular Weight | 296.319 g/mol |
| SMILES | O[C@@]([C@](\C=C\C(OC)OC)(O)[H])(COC(c1ccccc1)=O)[H] |
| SPLASH | splash10-14i0-1900000000-2e2938c7d3ba92388fb1 |
| Source of Spectrum | SO-0-1188-19 |
| Synonyms | (2R,3S,4E)-2,3-dihydroxy-6,6-dimethoxyhex-4-en-1-yl benzoate benzoic acid[(E,2R,3S)-2,3-dihydroxy-6,6-dimethoxy-hex-4-enyl]ester [(E,2R,3S)-2,3-dihydroxy-6,6-dimethoxy-hex-4-enyl]benzoate [(E,2R,3S)-6,6-dimethoxy-2,3-bis(oxidanyl)hex-4-enyl]benzoate benzoic acid [(E,2R,3S)-2,3-dihydroxy-6,6-dimethoxyhex-4-enyl] ester [(E,2R,3S)-2,3-dihydroxy-6,6-dimethoxyhex-4-enyl] benzoate [(E,2R,3S)-2,3-dihydroxy-6,6-dimethoxy-hex-4-enyl] benzoate [(E,2R,3S)-6,6-dimethoxy-2,3-bis(oxidanyl)hex-4-enyl] benzoate |
| Wiley ID | 1542713 |