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Atenolol
SpectraBase Compound ID 7OIQnEncl5Y
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
Mol Weight 266.34 g/mol
Molecular Formula C14H22N2O3
Exact Mass 266.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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