13-HOTrE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000056
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000056 contains the MS2 mass spectrum of 13-HOTrE with the InChIkey KLLGGGQNRTVBSU-FQSPHKRJSA-N.
Source: 13-HOTrE
Chemical Info
| InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m0/s1 |
|---|---|
| SMILES | CCC=CCC(O)C=CC=CCCCCCCCC(O)=O |
| InChI Key | KLLGGGQNRTVBSU-FQSPHKRJSA-N |
| Molecular Formula | C18H30O3 |
| Exact Mass | 294.219 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | feb1e4ba-df31-4a45-8ff7-950bf0710afa |
| Package id | msbnk-chubu_univ-ut000056 |
| Resource type | HTML |
| State | active |