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IMPURITY-II;[1-(1,1-BIS-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-(DIMETHYLAMINO)-BUTAN-1-ONE-HYDROBROMIDE
SpectraBase Compound ID A5NBw96OkCS
InChI InChI=1S/C26H25F2NO2.BrH/c1-29(2)15-3-4-25(30)18-5-14-24-19(16-18)17-31-26(24,20-6-10-22(27)11-7-20)21-8-12-23(28)13-9-21;/h5-14,16H,3-4,15,17H2,1-2H3;1H
InChIKey FLGFMINKWDLBRA-UHFFFAOYSA-N
Mol Weight 502.4 g/mol
Molecular Formula C26H26BrF2NO2
Exact Mass 501.111498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AM0nyl5b4zK
Name IMPURITY-II;[1-(1,1-BIS-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-YL)-4-(DIMETHYLAMINO)-BUTAN-1-ONE-HYDROBROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26BrF2NO2
InChI InChI=1S/C26H25F2NO2.BrH/c1-29(2)15-3-4-25(30)18-5-14-24-19(16-18)17-31-26(24,20-6-10-22(27)11-7-20)21-8-12-23(28)13-9-21;/h5-14,16H,3-4,15,17H2,1-2H3;1H
InChIKey FLGFMINKWDLBRA-UHFFFAOYSA-N
Literature Reference Author B.RAMAN,B.A.SHARMA,P.D.GHUGARE,P.P.KARMUSE,A.KUMAR
Literature Reference Citation J.PHARM.BIOM.ANAL.,50,377(2009)
Literature Reference DOI 10.1016/j.jpba.2009.05.017
Molecular Weight 502.399 g/mol
Solvent CDCl3
Source File Reference UWMZ44221