![2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2,8-dioxo-, ethyl ester, (3.alpha.,3a.alpha.,8a.alpha.)-](/api/spectrum/9uH1w2LMoZl/structure.png?h=300&w=458 "2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2,8-dioxo-, ethyl ester, (3.alpha.,3a.alpha.,8a.alpha.)-")
| SpectraBase Compound ID | 2caFe5tye8A |
|---|---|
| InChI | InChI=1S/C12H16O5/c1-2-16-11(14)9-7-5-3-4-6-8(13)10(7)17-12(9)15/h7,9-10H,2-6H2,1H3 |
| InChIKey | HBFSSBRETPBWPL-UHFFFAOYSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C12H16O5 |
| Exact Mass | 240.099774 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9uH1w2LMoZl |
|---|---|
| Name | 2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2,8-dioxo-, ethyl ester, (3.alpha.,3a.alpha.,8a.alpha.)- |
| Alternate Name(s) | Ethyl 2,8-dioxooctahydro-2H-cyclohepta[b]furan-3-carboxylate 2,8-Diketo-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[b]furan-3-carboxylic acid ethyl ester 2,8-Dioxo-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[b]furan-3-carboxylic acid ethyl ester Ethyl 2,8-bis(oxidanylidene)-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[b]furan-3-carboxylate Ethyl 2,8-dioxo-3a,4,5,6,7,8a-hexahydro-3H-cyclohepta[b]furan-3-carboxylate |
| CAS Registry Number | 107115-50-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O5 |
| InChI | InChI=1S/C12H16O5/c1-2-16-11(14)9-7-5-3-4-6-8(13)10(7)17-12(9)15/h7,9-10H,2-6H2,1H3 |
| InChIKey | HBFSSBRETPBWPL-UHFFFAOYSA-N |
| Molecular Weight | 240.255 g/mol |
| SMILES | C1CC(C2C(CC1)C(C(OCC)=O)C(O2)=O)=O |
| SPLASH | splash10-00mt-7900000000-5af7fab8a948046215c4 |
| Source of Spectrum | J-52-1434-4 |
| Wiley ID | 1242665 |