| SpectraBase Spectrum ID |
GEDun3AFIRy |
| Name |
Penbutolol-M (HO-) 2AC |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
391.235873162 u |
| Formula |
C22H33NO5 |
| InChI |
InChI=1S/C22H33NO5/c1-15(24)27-18-10-11-21(20(12-18)17-8-6-7-9-17)26-14-19(28-16(2)25)13-23-22(3,4)5/h10-12,17,19,23H,6-9,13-14H2,1-5H3 |
| InChIKey |
HWWNUCYCIVKSEO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
391.508 g/mol |
| SMILES |
c1(C2CCCC2)c(OCC(CNC(C)(C)C)OC(=O)C)ccc(OC(C)=O)c1 |
| SPLASH |
splash10-0a4i-9820000000-b8e3aa8e821233203187 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1382 |
