| SpectraBase Spectrum ID |
8D5M4viKN6D |
| Name |
Penbutolol 2AC |
| Classification |
Beta-Blocker |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
375.240958543 u |
| Formula |
C22H33NO4 |
| InChI |
InChI=1S/C22H33NO4/c1-16(24)23(22(3,4)5)14-19(27-17(2)25)15-26-21-13-9-8-12-20(21)18-10-6-7-11-18/h8-9,12-13,18-19H,6-7,10-11,14-15H2,1-5H3 |
| InChIKey |
PSAZFLFWDPVWMY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
375.509 g/mol |
| SMILES |
c1(C2CCCC2)c(cccc1)OCC(OC(C)=O)CN(C(=O)C)C(C)(C)C |
| SPLASH |
splash10-0a4i-9610000000-714c0c41fbfab7760fd4 |
| 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_1367 |
