Bucharaine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00060
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00060 contains the MS2 mass spectrum of Bucharaine with the InChIkey PBWIOAMUZKICDN-JLHYYAGUSA-N.
Source: Bucharaine
Chemical Info
| InChI | InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+ |
|---|---|
| SMILES | C/C(=C\COC1=CC(=O)NC2=CC=CC=C21)/CCC(C(C)(C)O)O |
| InChI Key | PBWIOAMUZKICDN-JLHYYAGUSA-N |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178 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 | 85597caa-e90b-46ff-bcd1-6aac6c6b868a |
| Package id | msbnk-washington_state_univ-bml00060 |
| Resource type | HTML |
| State | active |