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2,3-DIHYDRO-4-(PARA-CHLOROPHENYL)-7-(ORTHO-METHYLPHENYL)-1H-1,5-BENZODIAZEPINE-2-THIONE
SpectraBase Compound ID 8x7a5Zof3it
InChI InChI=1S/C22H17ClN2OS/c1-14-4-2-3-5-21(14)26-17-10-11-18-20(12-17)24-19(13-22(27)25-18)15-6-8-16(23)9-7-15/h2-12H,13H2,1H3,(H,25,27)
InChIKey IPQVGMTZZNVXBA-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 8q15XJu3JHR
Name 2,3-DIHYDRO-4-(PARA-CHLOROPHENYL)-7-(ORTHO-METHYLPHENYL)-1H-1,5-BENZODIAZEPINE-2-THIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN2OS
InChI InChI=1S/C22H17ClN2OS/c1-14-4-2-3-5-21(14)26-17-10-11-18-20(12-17)24-19(13-22(27)25-18)15-6-8-16(23)9-7-15/h2-12H,13H2,1H3,(H,25,27)
InChIKey IPQVGMTZZNVXBA-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,C.M.A.CASTREJON
Literature Reference Citation J.HETCYCL.CHEM.,34,1809(1997)
Literature Reference DOI 10.1002/jhet.5570340628
Molecular Weight 392.903 g/mol
Solvent DMSO-D6
Source File Reference UWSW299