| SpectraBase Spectrum ID |
Bsww9BS9414 |
| Name |
Penbutolol-M -H2O 2AC |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.162708221 u |
| Formula |
C18H23NO4 |
| InChI |
InChI=1S/C18H23NO4/c1-13(20)19-10-5-11-22-18-9-8-16(23-14(2)21)12-17(18)15-6-3-4-7-15/h5,8-10,12,15H,3-4,6-7,11H2,1-2H3,(H,19,20)/b10-5+ |
| InChIKey |
SCISSEWWAYHDBX-BJMVGYQFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.385 g/mol |
| SMILES |
C1CCCC1c1cc(ccc1OC\C=C\NC(C)=O)OC(=O)C |
| SPLASH |
splash10-056r-5940000000-d7eec5b9836b4139500c |
| 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. |
| Sample Preparation Procedure |
Detected: UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Penbutolol-M (deisobutyl-HO-) -H2O 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1708 |
