| SpectraBase Spectrum ID |
6RqO2A5wxxj |
| Name |
Propranolol-M (HO-) 3AC |
| Classification |
Beta-Blocker |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.183837587 u |
| Formula |
C22H27NO6 |
| InChI |
InChI=1S/C22H27NO6/c1-14(2)23(15(3)24)12-18(28-16(4)25)13-27-21-10-11-22(29-17(5)26)20-9-7-6-8-19(20)21/h6-11,14,18H,12-13H2,1-5H3 |
| InChIKey |
BTJVNFSGLYHZFD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
401.459 g/mol |
| SMILES |
c12ccccc1c(ccc2OCC(CN(C(C)=O)C(C)C)OC(C)=O)OC(=O)C |
| SPLASH |
splash10-052n-5910000000-64547221a61c29ad88bc |
| 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: U+UHYAC |
| 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_939 |
