Mono-isononyl-cyclohexane-1,2-dicarboxylate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113725
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN113725 contains the MS2 mass spectrum of Mono-isononyl-cyclohexane-1,2-dicarboxylate with the InChIkey IGGVQTVKZINOGK-NOYMGPGASA-N.
Chemical Info
| InChI | InChI=1S/C17H30O4/c1-3-4-8-13(2)9-7-12-21-17(20)15-11-6-5-10-14(15)16(18)19/h13-15H,3-12H2,1-2H3,(H,18,19)/t13?,14-,15+/m0/s1 |
|---|---|
| SMILES | CCCCC(C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O |
| InChI Key | IGGVQTVKZINOGK-NOYMGPGASA-N |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214 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 | 8273656e-484a-40d2-9764-2008da866f0c |
| Package id | msbnk-antwerp_univ-an113725 |
| Resource type | HTML |
| State | active |