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[6-(DIBENZYLAMINO)-3-AZA-BICYCLO-[3.1.0]-HEXAN-3-YL]-(4,5-DICHLORO-ISOTHIAZOLE-3-YL)-METHANONE

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[6-(DIBENZYLAMINO)-3-AZA-BICYCLO-[3.1.0]-HEXAN-3-YL]-(4,5-DICHLORO-ISOTHIAZOLE-3-YL)-METHANONE
SpectraBase Compound ID 8Vyfg6PsFBt
InChI InChI=1S/C23H21Cl2N3OS/c24-19-20(26-30-22(19)25)23(29)28-13-17-18(14-28)21(17)27(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2/t17-,18+,21+
InChIKey VGLPVLYPKIQLMC-WGMWDUQUSA-N
Mol Weight 458.41 g/mol
Molecular Formula C23H21Cl2N3OS
Exact Mass 457.078239 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tOuYttOTIj
Name [6-(DIBENZYLAMINO)-3-AZA-BICYCLO-[3.1.0]-HEXAN-3-YL]-(4,5-DICHLORO-ISOTHIAZOLE-3-YL)-METHANONE
Compound Number 2 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21Cl2N3OS
InChI InChI=1S/C23H21Cl2N3OS/c24-19-20(26-30-22(19)25)23(29)28-13-17-18(14-28)21(17)27(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2/t17-,18+,21+
InChIKey VGLPVLYPKIQLMC-WGMWDUQUSA-N
Literature Reference Author V.A.ZAPOLSKII,J.C.NAMYSLO,A.D.MEIJERE,D.E.KAUFMANN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,621(2012)
Literature Reference DOI 10.3762/bjoc.8.69
Solvent CDCl3
Source File Reference UWIR10460