11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00879
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00879 contains the MS2 mass spectrum of 11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[...
Chemical Info
| InChI | InChI=1S/C23H25BrN2O3/c1-23(2)11-15-19(16(27)12-23)22(26-14-8-6-5-7-13(14)25-15)20-17(28-3)9-10-18(29-4)21(20)24/h5-10,22,25-26H,11-12H2,1-4H3 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4Br)OC)OC)C(=O)C1)C |
| InChI Key | AHTIKTYAZWVOGR-UHFFFAOYSA-N |
| Molecular Formula | C23H25BrN2O3 |
| Exact Mass | 456.105 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 | f8a8b0be-969d-40c3-bfa9-0af8830f255a |
| Package id | msbnk-washington_state_univ-bml00879 |
| Resource type | HTML |
| State | active |