![(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione](/api/spectrum/9y28EcV9c/structure.png?h=300&w=458 "(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione")
| SpectraBase Compound ID | FMz9iWHxGsV |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13-4-2-3-10(14)9(13)5-8-6-12(15)16-11(8)7-13/h8-9,11H,2-7H2,1H3/t8-,9-,11-,13-/m1/s1 |
| InChIKey | PJSXWGRBQPZVIK-RUSTZOOPSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9y28EcV9c |
|---|---|
| Name | (3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-13-4-2-3-10(14)9(13)5-8-6-12(15)16-11(8)7-13/h8-9,11H,2-7H2,1H3/t8-,9-,11-,13-/m1/s1 |
| InChIKey | PJSXWGRBQPZVIK-RUSTZOOPSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | [C@@]12([C@](C[C@]3([C@](OC(=O)C3)(C1)[H])[H])(C(=O)CCC2)[H])C |
| SPLASH | splash10-0h70-8940000000-44ad7fc9826300fb2734 |
| Source of Spectrum | KC-1993-244-28 |
| Synonyms | (3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-quinone (3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2,5-dione (3aR,4aS,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2,5-dione (3aR,4aS,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2,5-dione |
| Wiley ID | 778874 |