Cyclohexane-1,2-dicarboxylic mono hydroxyisononyl ester
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113926
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN113926 contains the MS2 mass spectrum of Cyclohexane-1,2-dicarboxylic mono hydroxyisononyl ester with the InChIkey...
Source: Cyclohexane-1,2-dicarboxylic mono hydroxyisononyl ester
Chemical Info
| InChI | InChI=1S/C17H30O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h12-15,18H,3-11H2,1-2H3,(H,19,20)/t12?,13?,14-,15+/m0/s1 |
|---|---|
| SMILES | CC(O)CCC(C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O |
| InChI Key | WPTRTTWYMWWUTQ-PFSRBDOWSA-N |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209 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 | 88e8b3b8-cd0a-426d-83bb-3b2f8d581897 |
| Package id | msbnk-antwerp_univ-an113926 |
| Resource type | HTML |
| State | active |