Thebaine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82450
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82450 contains the MS mass spectrum of Thebaine with the InChIkey FQXXSQDCDRQNQE-VMDGZTHMSA-N.
Source: Thebaine
Chemical Info
| InChI | InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC |
| InChI Key | FQXXSQDCDRQNQE-VMDGZTHMSA-N |
| Molecular Formula | C19H21NO3 |
| Exact Mass | 311.152 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 | 805217e6-313b-4d23-963a-e7fae66883ef |
| Package id | msbnk-washington_state_univ-bml82450 |
| Resource type | HTML |
| State | active |