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2-METHYLTHIO-3H-4-(PARA-METHYLPHENYL)-7-(ORTHO-METHOXYPHENYLTHIO)-1,5-BENZO-DIAZEPINE
SpectraBase Compound ID DFgIE5BALFU
InChI InChI=1S/C24H22N2OS2/c1-16-8-10-17(11-9-16)20-15-24(28-3)26-19-13-12-18(14-21(19)25-20)29-23-7-5-4-6-22(23)27-2/h4-14H,15H2,1-3H3
InChIKey PYIRCCPCLULBCY-UHFFFAOYSA-N
Mol Weight 418.57 g/mol
Molecular Formula C24H22N2OS2
Exact Mass 418.117356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtsQlQhF04a
Name 2-METHYLTHIO-3H-4-(PARA-METHYLPHENYL)-7-(ORTHO-METHOXYPHENYLTHIO)-1,5-BENZO-DIAZEPINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22N2OS2
InChI InChI=1S/C24H22N2OS2/c1-16-8-10-17(11-9-16)20-15-24(28-3)26-19-13-12-18(14-21(19)25-20)29-23-7-5-4-6-22(23)27-2/h4-14H,15H2,1-3H3
InChIKey PYIRCCPCLULBCY-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 418.571 g/mol
Solvent CDCl3
Source File Reference UWSW288