| SpectraBase Spectrum ID |
Cd3RarFx3SH |
| Name |
Propranolol-M -H2O isomer-1 2AC |
| Classification |
Beta-Blocker |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
341.162708221 u |
| Formula |
C20H23NO4 |
| InChI |
InChI=1S/C20H23NO4/c1-14(2)21(15(3)22)12-7-13-24-19-10-11-20(25-16(4)23)18-9-6-5-8-17(18)19/h5-12,14H,13H2,1-4H3/b12-7+ |
| InChIKey |
MVXNVYDTJSLASO-KPKJPENVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
341.407 g/mol |
| SMILES |
c12c(OC\C=C\N(C(C)=O)C(C)C)ccc(c2cccc1)OC(=O)C |
| SPLASH |
splash10-0007-5910000000-f419dff7e2000c3dd18d |
| 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 |
| Synonyms |
Propranolol-M (HO-) -H2O isomer-1 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_937 |
