| SpectraBase Compound ID | Bz9UxSFQNF6 |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-15-7-5-8-16(2,14(19)20-3)11(15)6-9-17(21-4)12(15)10-13(18)22-17/h10-11H,5-9H2,1-4H3 |
| InChIKey | GQLLNBCAQFIVNP-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K9tXGiMMWVm |
|---|---|
| Name | 2-keto-3a-methoxy-6,9a-dimethyl-4,5,5a,7,8,9-hexahydrobenzo[e]benzofuran-6-carboxylic acid methyl ester |
| CAS Registry Number | 77500-05-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-15-7-5-8-16(2,14(19)20-3)11(15)6-9-17(21-4)12(15)10-13(18)22-17/h10-11H,5-9H2,1-4H3 |
| InChIKey | GQLLNBCAQFIVNP-UHFFFAOYSA-N |
| Molecular Weight | 308.374 g/mol |
| SMILES | COC12CCC3C(C)(C2=CC(=O)O1)CCCC3(C(OC)=O)C |
| SPLASH | splash10-03xr-0891000000-5443918d48db7e3fc015 |
| Source of Spectrum | B-35-191-0 |
| Synonyms | 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e]benzofuran-6-carboxylic acid methyl ester Methyl 3a-methoxy-6,9a-dimethyl-2-oxidanylidene-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate Methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e]benzofuran-6-carboxylate Methyl 3a-methoxy-6,9a-dimethyl-2-oxo-4,5,5a,7,8,9-hexahydrobenzo[e][1]benzofuran-6-carboxylate |
| Wiley ID | 1309777 |