![(5aR,6S,9aS)-1,3-diketo-6,9a-dimethyl-4,5,5a,7,8,9-hexahydrobenz[e]isobenzofuran-6-carboxylic acid methyl ester](/api/spectrum/16gxSdmoDO9/structure.png?h=300&w=458 "(5aR,6S,9aS)-1,3-diketo-6,9a-dimethyl-4,5,5a,7,8,9-hexahydrobenz[e]isobenzofuran-6-carboxylic acid methyl ester")
| SpectraBase Compound ID | 1Hs3SWrQYVc |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-15-7-4-8-16(2,14(19)20-3)10(15)6-5-9-11(15)13(18)21-12(9)17/h10H,4-8H2,1-3H3/t10-,15+,16+/m1/s1 |
| InChIKey | FZTXAQHDGRNRCM-VFVAKGGASA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 16gxSdmoDO9 |
|---|---|
| Name | (5aR,6S,9aS)-1,3-diketo-6,9a-dimethyl-4,5,5a,7,8,9-hexahydrobenz[e]isobenzofuran-6-carboxylic acid methyl ester |
| Alternate Name(s) | (5aR,6S,9aS)-6,9a-dimethyl-1,3-dioxo-4,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-6-carboxylic acid methyl ester Methyl (5aR,6S,9aS)-6,9a-dimethyl-1,3-bis(oxidanylidene)-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-6-carboxylate Methyl (5aR,6S,9aS)-6,9a-dimethyl-1,3-dioxo-4,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-6-carboxylate Methyl (5aR,6S,9aS)-6,9a-dimethyl-1,3-dioxo-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-6-carboxylate |
| CAS Registry Number | 128820-12-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-15-7-4-8-16(2,14(19)20-3)10(15)6-5-9-11(15)13(18)21-12(9)17/h10H,4-8H2,1-3H3/t10-,15+,16+/m1/s1 |
| InChIKey | FZTXAQHDGRNRCM-VFVAKGGASA-N |
| Molecular Weight | 292.331 g/mol |
| SMILES | C=12[C@@]3([C@@]([C@](C(=O)OC)(C)CCC3)([H])CCC1C(=O)OC2=O)C |
| SPLASH | splash10-052f-8590000000-ebf66a02e16970ee86e5 |
| Source of Spectrum | B-43-496-6 |
| Wiley ID | 1295403 |