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2,3-DIHYDRO-4-(PARA-METHYLPHENYL)-7-(META-BROMOPHENOXY)-(1H)-1,5-BENZODIAZEPINE-2-THIONE

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2,3-DIHYDRO-4-(PARA-METHYLPHENYL)-7-(META-BROMOPHENOXY)-(1H)-1,5-BENZODIAZEPINE-2-THIONE
SpectraBase Compound ID EL9xAvhoQ3b
InChI InChI=1S/C22H17BrN2OS/c1-14-5-7-15(8-6-14)20-13-22(27)25-19-10-9-18(12-21(19)24-20)26-17-4-2-3-16(23)11-17/h2-12H,13H2,1H3,(H,25,27)
InChIKey RMUBPHJOUOURCA-UHFFFAOYSA-N
Mol Weight 437.36 g/mol
Molecular Formula C22H17BrN2OS
Exact Mass 436.024497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JeYdB8hQXz
Name 2,3-DIHYDRO-4-(PARA-METHYLPHENYL)-7-(META-BROMOPHENOXY)-(1H)-1,5-BENZODIAZEPINE-2-THIONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17BrN2OS
InChI InChI=1S/C22H17BrN2OS/c1-14-5-7-15(8-6-14)20-13-22(27)25-19-10-9-18(12-21(19)24-20)26-17-4-2-3-16(23)11-17/h2-12H,13H2,1H3,(H,25,27)
InChIKey RMUBPHJOUOURCA-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,M.M.TORRES
Literature Reference Citation J.HETCYCL.CHEM.,34,953(1997)
Literature Reference DOI 10.1002/jhet.5570340337
Molecular Weight 437.354 g/mol
Solvent CDCl3
Source File Reference UWSW264