Cyclohexane-1,2-dicarboxylic mono carboxyisooctyl ester
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113828
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN113828 contains the MS2 mass spectrum of Cyclohexane-1,2-dicarboxylic mono carboxyisooctyl ester with the InChIkey...
Source: Cyclohexane-1,2-dicarboxylic mono carboxyisooctyl ester
Chemical Info
| InChI | InChI=1S/C17H28O6/c1-12(6-4-10-15(18)19)7-5-11-23-17(22)14-9-3-2-8-13(14)16(20)21/h12-14H,2-11H2,1H3,(H,18,19)(H,20,21)/t12?,13-,14+/m0/s1 |
|---|---|
| SMILES | CC(CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)CCCC(=O)O |
| InChI Key | HGYNPCSGHWFMTB-KFTPUPIBSA-N |
| Molecular Formula | C17H28O6 |
| Exact Mass | 328.189 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 | 94360c85-03a1-4116-b88d-2fe1948f43da |
| Package id | msbnk-antwerp_univ-an113828 |
| Resource type | HTML |
| State | active |