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3-[(2'-PHENYLAMINO)-1',3',4'-THIDIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID DEsHbtmUFNV
InChI InChI=1S/C24H18ClN5OS/c1-30-19-13-12-16(25)14-18(19)20(15-8-4-2-5-9-15)27-21(23(30)31)22-28-29-24(32-22)26-17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,29)
InChIKey GETLKYKDIGUAGK-UHFFFAOYSA-N
Mol Weight 459.96 g/mol
Molecular Formula C24H18ClN5OS
Exact Mass 459.092059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LexidPxJ0Yt
Name 3-[(2'-PHENYLAMINO)-1',3',4'-THIDIAZOL-5'-YL]-7-CHLORO-1,3-DIHYDRO-1-METHYL-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H18ClN5OS
InChI InChI=1S/C24H18ClN5OS/c1-30-19-13-12-16(25)14-18(19)20(15-8-4-2-5-9-15)27-21(23(30)31)22-28-29-24(32-22)26-17-10-6-3-7-11-17/h2-14,21H,1H3,(H,26,29)
InChIKey GETLKYKDIGUAGK-UHFFFAOYSA-N
Literature Reference Author M.A.BERGHOT
Literature Reference Citation J.CHIN.CHEM.SOC.,48,913(2001)
Literature Reference DOI 10.1002/jccs.200100133
Molecular Weight 459.953 g/mol
Solvent CF3COOD
Source File Reference UWMS3390