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Penbutolol
SpectraBase Compound ID 6O40Tkkf7vW
InChI InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3
InChIKey KQXKVJAGOJTNJS-UHFFFAOYSA-N
Mol Weight 291.43 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j5XU201SFW
Name 1-tert-Butylamino-3-(2-cyclopentyl-phenoxy)-2-propanol
CAS Registry Number 36507-48-9
Comments STRUCTURE CHANGED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3
InChIKey KQXKVJAGOJTNJS-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference H.Y. Aboul-Enein, M.M. Hassan, A.I.Jado, Spectrosc. Lett. 16, 151 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3