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Atenolol-A (-H2O) AC
SpectraBase Compound ID 8Gwk3jlk65C
InChI InChI=1S/C16H22N2O3/c1-12(2)18(13(3)19)9-4-10-21-15-7-5-14(6-8-15)11-16(17)20/h4-9,12H,10-11H2,1-3H3,(H2,17,20)/b9-4+
InChIKey VFUXAATYFWBOMB-RUDMXATFSA-N
Mol Weight 290.36 g/mol
Molecular Formula C16H22N2O3
Exact Mass 290.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEhFybSczVQ
Name Atenolol-A (-H2O) AC
Classification Pharmaceutical drug, beta-adrenergic blocker
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 290.163042573 u
Formula C16H22N2O3
InChI InChI=1S/C16H22N2O3/c1-12(2)18(13(3)19)9-4-10-21-15-7-5-14(6-8-15)11-16(17)20/h4-9,12H,10-11H2,1-3H3,(H2,17,20)/b9-4+
InChIKey VFUXAATYFWBOMB-RUDMXATFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 290.363 g/mol
Nominal Mass 290 u
Quality 914
Retention Index 2219
SMILES NC(CC1=CC=C(C=C1)OC\C=C\N(C(=O)C)C(C)C)=O
SPLASH splash10-0a4v-4930000000-820506eeb791c8d879a7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (4-(((2E)-3-(acetyl(propan-2-yl)amino)prop-2-en-1-yl)oxy)phenyl)acetamide
Technique GC/MS
Wiley ID DD2024_006225