![trans-9-Ethyl-5-(ethoxycarbonyl)-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-ene isomer](/api/spectrum/InHxKbD0J74/structure.png?h=300&w=458 "trans-9-Ethyl-5-(ethoxycarbonyl)-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-ene isomer")
| SpectraBase Compound ID | HAU0jHUwcmW |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | BUSDCRSHQKPZMF-RMPHRYRLSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | InHxKbD0J74 |
|---|---|
| Name | trans-9-Ethyl-5-(ethoxycarbonyl)-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-ene isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | BUSDCRSHQKPZMF-RMPHRYRLSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C1([C@@]2([C@@](C=C[C@]([C@]2(C(=O)OCC)[H])(C)[H])([H])[C@@](O1)(CC)[H])[H])=O |
| SPLASH | splash10-054o-9600000000-02d3e32712eb92de9f72 |
| Source of Spectrum | F-53-1012-20 |
| Synonyms | (1S,3aR,4R,5R,7aS)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester Ethyl (1S,3aR,4R,5R,7aS)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Ethyl (1S,3aR,4R,5R,7aS)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate Ethyl (1S,3aR,4R,5R,7aS)-1-ethyl-5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate |
| Wiley ID | 800168 |