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2,3-DIHYDRO-4-(PARA-BROMOPHENYL)-7-(PARA-METHYLPHENOXY)-1H-1,5-BENZODIAZEPINE-2-THIONE
SpectraBase Compound ID 4QPrUQZaCGy
InChI InChI=1S/C22H17BrN2OS/c1-14-2-8-17(9-3-14)26-18-10-11-19-21(12-18)24-20(13-22(27)25-19)15-4-6-16(23)7-5-15/h2-12H,13H2,1H3,(H,25,27)
InChIKey LGCLLOVMPNIFBE-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 HPFKiwtlTOS
Name 2,3-DIHYDRO-4-(PARA-BROMOPHENYL)-7-(PARA-METHYLPHENOXY)-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/c1-14-2-8-17(9-3-14)26-18-10-11-19-21(12-18)24-20(13-22(27)25-19)15-4-6-16(23)7-5-15/h2-12H,13H2,1H3,(H,25,27)
InChIKey LGCLLOVMPNIFBE-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,C.M.A.CASTREJON
Literature Reference Citation J.HETCYCL.CHEM.,34,1809(1997)
Literature Reference DOI 10.1002/jhet.5570340628
Molecular Weight 437.354 g/mol
Solvent DMSO-D6
Source File Reference UWSW306