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2,3-DIHYDRO-4-(PARA-CHLOROPHENYL)-7-PHENOXY-1H-1,5-BENZODIAZEPINE-2-THIONE
SpectraBase Compound ID B5GqT8pmskY
InChI InChI=1S/C21H15ClN2OS/c22-15-8-6-14(7-9-15)19-13-21(26)24-18-11-10-17(12-20(18)23-19)25-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)
InChIKey DJFHGOLOBUAHEU-UHFFFAOYSA-N
Mol Weight 378.88 g/mol
Molecular Formula C21H15ClN2OS
Exact Mass 378.059362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bJJDTeTxxz
Name 2,3-DIHYDRO-4-(PARA-CHLOROPHENYL)-7-PHENOXY-1H-1,5-BENZODIAZEPINE-2-THIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15ClN2OS
InChI InChI=1S/C21H15ClN2OS/c22-15-8-6-14(7-9-15)19-13-21(26)24-18-11-10-17(12-20(18)23-19)25-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)
InChIKey DJFHGOLOBUAHEU-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 378.876 g/mol
Solvent DMSO-D6
Source File Reference UWSW296