Decoquinate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU108703
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU108703 contains the MS2 mass spectrum of Decoquinate with the InChIkey JHAYEQICABJSTP-UHFFFAOYSA-N.
Source: Decoquinate
Chemical Info
| InChI | InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26) |
|---|---|
| SMILES | CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC |
| InChI Key | JHAYEQICABJSTP-UHFFFAOYSA-N |
| Molecular Formula | C24H35NO5 |
| Exact Mass | 417.252 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 2fca99bc-9c62-4cb6-85f8-55d079b1a39a |
| Package id | msbnk-athens_univ-au108703 |
| Resource type | HTML |
| State | active |