Mono(2-ethyl-oxo-hexyl) trimelliate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115926
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN115926 contains the MS2 mass spectrum of Mono(2-ethyl-oxo-hexyl) trimelliate with the InChIkey BAIGYCWXMXEZKY-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C17H20O7/c1-3-11(5-4-10(2)18)9-24-17(23)14-8-12(15(19)20)6-7-13(14)16(21)22/h6-8,11H,3-5,9H2,1-2H3,(H,19,20)(H,21,22) |
|---|---|
| SMILES | CCC(CCC(C)=O)COC(=O)c1cc(C(=O)O)ccc1C(=O)O |
| InChI Key | BAIGYCWXMXEZKY-UHFFFAOYSA-N |
| Molecular Formula | C17H20O7 |
| Exact Mass | 336.121 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 08c4ec24-62c9-4dc3-b662-860367b0254c |
| Package id | msbnk-antwerp_univ-an115926 |
| Resource type | HTML |
| State | active |