8-Benzylcanadine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00787
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00787 contains the MS2 mass spectrum of 8-Benzylcanadine with the InChIkey SKWMDAJIQZJZKL-UHFFFAOYSA-N.
Source: 8-Benzylcanadine
Chemical Info
| InChI | InChI=1S/C27H27NO4/c1-29-23-9-8-19-13-21-20-15-25-24(31-16-32-25)14-18(20)10-11-28(21)22(26(19)27(23)30-2)12-17-6-4-3-5-7-17/h3-9,14-15,21-22H,10-13,16H2,1-2H3 |
|---|---|
| SMILES | COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2CC6=CC=CC=C6)OCO5)C=C1)OC |
| InChI Key | SKWMDAJIQZJZKL-UHFFFAOYSA-N |
| Molecular Formula | C27H27NO4 |
| Exact Mass | 429.194 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 | 48cedd3e-714a-4e54-9941-b28d62761382 |
| Package id | msbnk-washington_state_univ-bml00787 |
| Resource type | HTML |
| State | active |