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2-METHYLTHIO-3H-4-(PARA-BROMOPHENYL)-7-PHENYLTHIO-1,5-BENZO-DIAZEPINE
SpectraBase Compound ID 2jOxcAvjFcg
InChI InChI=1S/C22H17BrN2S2/c1-26-22-14-20(15-7-9-16(23)10-8-15)24-21-13-18(11-12-19(21)25-22)27-17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKey RRMBXDYQPDZULU-UHFFFAOYSA-N
Mol Weight 453.42 g/mol
Molecular Formula C22H17BrN2S2
Exact Mass 452.001654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTJX7W5QPkv
Name 2-METHYLTHIO-3H-4-(PARA-BROMOPHENYL)-7-PHENYLTHIO-1,5-BENZO-DIAZEPINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17BrN2S2
InChI InChI=1S/C22H17BrN2S2/c1-26-22-14-20(15-7-9-16(23)10-8-15)24-21-13-18(11-12-19(21)25-22)27-17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChIKey RRMBXDYQPDZULU-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,M.I.B.LOPEZ,Y.M.O.PICHARDO
Literature Reference Citation J.HETCYCL.CHEM.,34,1833(1997)
Literature Reference DOI 10.1002/jhet.5570340633
Molecular Weight 453.414 g/mol
Solvent CDCl3
Source File Reference UWSW286