Mono-(2-ethyl-5-carboxypentyl) phthalate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115328
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN115328 contains the MS2 mass spectrum of Mono-(2-ethyl-5-carboxypentyl) phthalate with the InChIkey XFGRNAPKLGXDGF-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20) |
|---|---|
| SMILES | CCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O |
| InChI Key | XFGRNAPKLGXDGF-UHFFFAOYSA-N |
| Molecular Formula | C16H20O6 |
| Exact Mass | 308.126 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 | No License Provided |
| Id | bac853d2-e32d-436f-b270-57690d3c9995 |
| Package id | msbnk-antwerp_univ-an115328 |
| Resource type | HTML |
| State | active |