| SpectraBase Compound ID | 5XgO185YMmi |
|---|---|
| InChI | InChI=1S/C12H16O6/c1-6(13)17-9-3-4-10(18-7(2)14)11-8(9)5-16-12(11)15/h8-11H,3-5H2,1-2H3 |
| InChIKey | IJUSXGVDIWHBKU-UHFFFAOYSA-N |
| Mol Weight | 256.25 g/mol |
| Molecular Formula | C12H16O6 |
| Exact Mass | 256.094688 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CHwAtbPZusg |
|---|---|
| Name | (7-acetoxy-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-yl) acetate |
| CAS Registry Number | 138541-00-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O6 |
| InChI | InChI=1S/C12H16O6/c1-6(13)17-9-3-4-10(18-7(2)14)11-8(9)5-16-12(11)15/h8-11H,3-5H2,1-2H3 |
| InChIKey | IJUSXGVDIWHBKU-UHFFFAOYSA-N |
| Molecular Weight | 256.254 g/mol |
| SMILES | C12C(C(OC(=O)C)CCC2OC(=O)C)COC1=O |
| SPLASH | splash10-0udi-0910000000-7063fd5f90cb1bc0721d |
| Source of Spectrum | U-1992-386-8 |
| Synonyms | (7-acetyloxy-1-oxidanylidene-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-4-yl) ethanoate (7-acetyloxy-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-4-yl) acetate Acetic acid (7-acetoxy-1-keto-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-yl) ester Acetic acid (7-acetyloxy-1-oxo-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-4-yl) ester |
| Wiley ID | 763972 |