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Acebutolol HCl
SpectraBase Compound ID 3qBlOXAG37O
InChI InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
InChIKey KTUFKADDDORSSI-UHFFFAOYSA-N
Mol Weight 372.89 g/mol
Molecular Formula C18H29ClN2O4
Exact Mass 372.181585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdSbHfD1wX4
Name ACEBUTOLOL;N-[3-ACETYL-4-(2-HYDROXY-3-PROPAN-2-YLAMINO-PROPOXY)-PHENYL]-BUTANAMIDE-HYDROCHLORIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29ClN2O4
InChI InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
InChIKey KTUFKADDDORSSI-UHFFFAOYSA-N
Literature Reference Author M.A.ZIELINSKA-PISKLAK,D.M.PISKLAK,I.WAWER
Literature Reference Citation MAGN.RES.CHEM.,49,284(2011)
Literature Reference DOI 10.1002/mrc.2742
Molecular Weight 372.892 g/mol
Solvent DMSO-D6
Source File Reference UWBT12924