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2,3-DIHYDRO-4-(PARA-METHYLPHENYL)-7-(ORTHO-CHLOROPHENOXY)-(1H)-1,5-BENZODIAZEPINE-2-THIONE
SpectraBase Compound ID GQGSNoBNalc
InChI InChI=1S/C22H17ClN2OS/c1-14-6-8-15(9-7-14)19-13-22(27)25-18-11-10-16(12-20(18)24-19)26-21-5-3-2-4-17(21)23/h2-12H,13H2,1H3,(H,25,27)
InChIKey CQYQVTWUVYEISQ-UHFFFAOYSA-N
Mol Weight 392.9 g/mol
Molecular Formula C22H17ClN2OS
Exact Mass 392.075012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im1DouGqWnM
Name 2,3-DIHYDRO-4-(PARA-METHYLPHENYL)-7-(ORTHO-CHLOROPHENOXY)-(1H)-1,5-BENZODIAZEPINE-2-THIONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN2OS
InChI InChI=1S/C22H17ClN2OS/c1-14-6-8-15(9-7-14)19-13-22(27)25-18-11-10-16(12-20(18)24-19)26-21-5-3-2-4-17(21)23/h2-12H,13H2,1H3,(H,25,27)
InChIKey CQYQVTWUVYEISQ-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,M.M.TORRES
Literature Reference Citation J.HETCYCL.CHEM.,34,953(1997)
Literature Reference DOI 10.1002/jhet.5570340337
Molecular Weight 392.903 g/mol
Solvent CDCl3
Source File Reference UWSW261