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Penbutolol-A (CH2O,-H2O)
SpectraBase Compound ID 6ZUJvKlyltW
InChI InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3
InChIKey DAPWZKQHDPYJPN-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHuxIMuIiH2
Name Penbutolol-A (CH2O,-H2O)
Classification Pharmaceutical drug artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 303.219829176 u
Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3
InChIKey DAPWZKQHDPYJPN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.446 g/mol
Nominal Mass 303 u
Quality 918
Retention Index 2334
SMILES C=1(C(OCC2CN(C(C)(C)C)CO2)=CC=CC1)C1CCCC1
SPLASH splash10-000i-0390000000-e5105b61df224c76c082
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-tert-butyl-5-((2-cyclopentylphenoxy)methyl)-1,3-oxazolidine
Technique GC/MS
Wiley ID DD2024_004523