| SpectraBase Spectrum ID |
3Aejp57Ods |
| Name |
Penbutolol TMS |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
363.259355968 u |
| Formula |
C21H37NO2Si |
| InChI |
InChI=1S/C21H37NO2Si/c1-21(2,3)22-15-18(24-25(4,5)6)16-23-20-14-10-9-13-19(20)17-11-7-8-12-17/h9-10,13-14,17-18,22H,7-8,11-12,15-16H2,1-6H3 |
| InChIKey |
ITBLPVWSPSFNGW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
363.617 g/mol |
| SMILES |
c1(c(OCC(O[Si](C)(C)C)CNC(C)(C)C)cccc1)C1CCCC1 |
| SPLASH |
splash10-000i-9300000000-9a4dd012274f11ea1171 |
| 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_5491 |
