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(+-)-4'-METHYL-N-BENZYLCATHINONE-HYDROBROMIDE;4-MBC
SpectraBase Compound ID 3jsFiHdxsDq
InChI InChI=1S/C17H19NO.BrH/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15;/h3-11,14,18H,12H2,1-2H3;1H
InChIKey AJXWEDYBCQDQNC-UHFFFAOYSA-N
Mol Weight 334.26 g/mol
Molecular Formula C17H20BrNO
Exact Mass 333.072827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeGNoxqI1hM
Name (+-)-4'-METHYL-N-BENZYLCATHINONE-HYDROBROMIDE;4-MBC
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20BrNO
InChI InChI=1S/C17H19NO.BrH/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15;/h3-11,14,18H,12H2,1-2H3;1H
InChIKey AJXWEDYBCQDQNC-UHFFFAOYSA-N
Literature Reference Author O.I.G.KHREIT,C.IRVING,E.SCHMIDT,J.A.PARKINSON,N.N.DAEID,O.B. SUTCLIFFE
Literature Reference Citation J.PHARM.BIOM.ANAL.,61,122(2012)
Literature Reference DOI 10.1016/j.jpba.2011.11.004
Molecular Weight 334.256 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44032