Robinetin trimethyl ether
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01819
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01819 contains the MS2 mass spectrum of Robinetin trimethyl ether with the InChIkey NJNGYVOYOVPWBB-UHFFFAOYSA-N.
Source: Robinetin trimethyl ether
Chemical Info
| InChI | InChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O |
| InChI Key | NJNGYVOYOVPWBB-UHFFFAOYSA-N |
| Molecular Formula | C18H16O7 |
| Exact Mass | 344.090 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 | 42b4efae-613f-4844-9d22-9fe9be538cfe |
| Package id | msbnk-washington_state_univ-bml01819 |
| Resource type | HTML |
| State | active |