| SpectraBase Compound ID | 6VlWtasGMSn |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-3-4-5-6-9-17(21-13(2)19)18-12-11-14-15(20)8-7-10-16(14)22-18/h17-18H,3-12H2,1-2H3/t17-,18-/m0/s1 |
| InChIKey | NIIVUPKBUJKFAD-ROUUACIJSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IUn0gXSTAeV |
|---|---|
| Name | 2(S)-(1(S)-Acetoxyheptyl)octahydrobenzopyran-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-3-4-5-6-9-17(21-13(2)19)18-12-11-14-15(20)8-7-10-16(14)22-18/h17-18H,3-12H2,1-2H3/t17-,18-/m0/s1 |
| InChIKey | NIIVUPKBUJKFAD-ROUUACIJSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C12=C(O[C@@](CC2)([C@@](OC(=O)C)(CCCCCC)[H])[H])CCCC1=O |
| SPLASH | splash10-0a4i-2429000000-2973c4c8088622ed9c81 |
| Source of Spectrum | SO-0-126-28 |
| Synonyms | (1S)-1-[(2S)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromen-2-yl]heptyl acetate 2(S)-(1(S)-Acetoxyheptyl)-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Acetoxyheptyl)-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Acetoxyheptyl)octahydrobenzopyran-5-one Acetic acid[(1S)-1-[(2S)-5-keto-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl]ester Acetic acid[(1S)-1-[(2S)-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-2-yl]heptyl]ester [(1S)-1-[(2S)-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl]ethanoate [(1S)-1-[(2S)-5-oxo-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl]acetate Acetic acid [(1S)-1-[(2S)-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-2-yl]heptyl] ester [(1S)-1-[(2S)-5-oxo-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl] acetate [(1S)-1-[(2S)-5-oxidanylidene-2,3,4,6,7,8-hexahydrochromen-2-yl]heptyl] ethanoate |
| Wiley ID | 864036 |