Penbutolol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002583
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002583 contains the MS mass spectrum of Penbutolol with the InChIkey KQXKVJAGOJTNJS-HNNXBMFYSA-N.
Source: Penbutolol
Chemical Info
| InChI | InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1 |
|---|---|
| SMILES | CC(C)(C)NCC([H])(O)COc(c2)c(ccc2)C(C1)CCC1 |
| InChI Key | KQXKVJAGOJTNJS-HNNXBMFYSA-N |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.220 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | ea720248-f3d8-47f1-9b8e-97757f0ba0fb |
| Package id | msbnk-waters-wa002583 |
| Resource type | HTML |
| State | active |