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2-METHYLTHIO-3H-4-PHENYL-7-(ORTHO-METHOXYPHENYLTHIO)-1,5-BENZO-DIAZEPINE
SpectraBase Compound ID KPjOL7yATbE
InChI InChI=1S/C23H20N2OS2/c1-26-21-10-6-7-11-22(21)28-17-12-13-18-20(14-17)24-19(15-23(25-18)27-2)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKey ZGJJXVTYKVZQKA-UHFFFAOYSA-N
Mol Weight 404.55 g/mol
Molecular Formula C23H20N2OS2
Exact Mass 404.101706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2uMdEP5uE6
Name 2-METHYLTHIO-3H-4-PHENYL-7-(ORTHO-METHOXYPHENYLTHIO)-1,5-BENZO-DIAZEPINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20N2OS2
InChI InChI=1S/C23H20N2OS2/c1-26-21-10-6-7-11-22(21)28-17-12-13-18-20(14-17)24-19(15-23(25-18)27-2)16-8-4-3-5-9-16/h3-14H,15H2,1-2H3
InChIKey ZGJJXVTYKVZQKA-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 404.545 g/mol
Solvent CDCl3
Source File Reference UWSW287