| SpectraBase Spectrum ID |
BCHEGSraNxi |
| Name |
Penbutolol |
| CAS Registry Number |
38363-40-5 |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
291.219829176 u |
| Formula |
C18H29NO2 |
| 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 |
| InChIKey |
KQXKVJAGOJTNJS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
291.435 g/mol |
| SMILES |
c1(C2CCCC2)c(cccc1)OCC(CNC(C)(C)C)O |
| SPLASH |
splash10-000i-9300000000-4fbbd2dfe7e14f7bf730 |
| 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: G |
| 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_2596 |
