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AFGLZLBKLKTLNB-UEMZRLCASA-M

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AFGLZLBKLKTLNB-UEMZRLCASA-M
SpectraBase Compound ID 859wiqb6Vnc
InChI InChI=1S/C21H25ClNO2.BrH/c1-24-19-10-16-8-9-23(13-15-6-4-3-5-7-15)14-17(12-22)21(23)18(16)11-20(19)25-2;/h3-7,10-11,17,21H,8-9,12-14H2,1-2H3;1H/q+1;/p-1/t17-,21-,23+;/m1./s1
InChIKey AFGLZLBKLKTLNB-UEMZRLCASA-M
Mol Weight 438.79 g/mol
Molecular Formula C21H25BrClNO2
Exact Mass 437.07572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XEzTlXDIVi
Name AFGLZLBKLKTLNB-UEMZRLCASA-M
Compound Number 21E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25BrClNO2
InChI InChI=1S/C21H25ClNO2.BrH/c1-24-19-10-16-8-9-23(13-15-6-4-3-5-7-15)14-17(12-22)21(23)18(16)11-20(19)25-2;/h3-7,10-11,17,21H,8-9,12-14H2,1-2H3;1H/q+1;/p-1/t17-,21-,23+;/m1./s1
InChIKey AFGLZLBKLKTLNB-UEMZRLCASA-M
Literature Reference Author G.BERNATH,F.FUELOEP,J.ARVA,J.KOBOR,P.SOHAR
Literature Reference Citation J.HETCYCL.CHEM.,28,353(1991)
Literature Reference DOI 10.1002/jhet.5570280228
Molecular Weight 438.792 g/mol
Solvent DMSO-D6
Source File Reference UWCS16965