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2-(PARA-CHLOROAMINOPHENYL)-3H-5-(ORTHO-FLUOROPHENYL)-7-CHLORO-1,4-BENZODIAZEPINE
SpectraBase Compound ID IMYHqTZfSgI
InChI InChI=1S/C21H14Cl2FN3/c22-13-5-8-15(9-6-13)26-20-12-25-21(16-3-1-2-4-18(16)24)17-11-14(23)7-10-19(17)27-20/h1-11H,12H2,(H,26,27)
InChIKey PFPTYEHXJXNFJB-UHFFFAOYSA-N
Mol Weight 398.27 g/mol
Molecular Formula C21H14Cl2FN3
Exact Mass 397.054881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nXZm00H5Tx
Name 2-(PARA-CHLOROAMINOPHENYL)-3H-5-(ORTHO-FLUOROPHENYL)-7-CHLORO-1,4-BENZODIAZEPINE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H14Cl2FN3
InChI InChI=1S/C21H14Cl2FN3/c22-13-5-8-15(9-6-13)26-20-12-25-21(16-3-1-2-4-18(16)24)17-11-14(23)7-10-19(17)27-20/h1-11H,12H2,(H,26,27)
InChIKey PFPTYEHXJXNFJB-UHFFFAOYSA-N
Literature Reference Author E.C.CORTES,R.S.FRANCO,O.G.MELLADO
Literature Reference Citation J.HETCYCL.CHEM.,38,663(2001)
Literature Reference DOI 10.1002/jhet.5570380320
Molecular Weight 398.267 g/mol
Solvent Unknown
Source File Reference UWLU21236