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2-METHYLTHIO-3H-4-(PARA-BROMOPHENYL)-7-(PARA-METHOXYPHENYLTHIO)-1,5-DIAZEPINE
SpectraBase Compound ID IvWkallWQnc
InChI InChI=1S/C23H19BrN2OS2/c1-27-17-7-9-18(10-8-17)29-19-11-12-20-22(13-19)25-21(14-23(26-20)28-2)15-3-5-16(24)6-4-15/h3-13H,14H2,1-2H3
InChIKey AEGFMCYLEZJBOH-UHFFFAOYSA-N
Mol Weight 483.44 g/mol
Molecular Formula C23H19BrN2OS2
Exact Mass 482.012219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEDChq94A2j
Name 2-METHYLTHIO-3H-4-(PARA-BROMOPHENYL)-7-(PARA-METHOXYPHENYLTHIO)-1,5-DIAZEPINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H19BrN2OS2
InChI InChI=1S/C23H19BrN2OS2/c1-27-17-7-9-18(10-8-17)29-19-11-12-20-22(13-19)25-21(14-23(26-20)28-2)15-3-5-16(24)6-4-15/h3-13H,14H2,1-2H3
InChIKey AEGFMCYLEZJBOH-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 483.441 g/mol
Solvent CDCl3
Source File Reference UWSW294