SpectraBase Spectrum ID |
BhGNvDMne1H |
Name |
Atenolol |
CAS Registry Number |
29122-68-7 |
Classification |
Beta-Blocker |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
266.163042573 u |
Formula |
C14H22N2O3 |
InChI |
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) |
InChIKey |
METKIMKYRPQLGS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
266.341 g/mol |
SMILES |
c1c(OCC(CNC(C)C)O)ccc(CC(N)=O)c1 |
SPLASH |
splash10-00di-9100000000-ec0ef5a3a6c9ec14adb2 |
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 P-I U |
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_1721 |