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2-TRICHLOROMETHYL-4-(PARA-BROMOPHENYL)-3H-1,5-BENZODIAZEPINE
SpectraBase Compound ID EcIidsAAQaS
InChI InChI=1S/C16H10BrCl3N2/c17-11-7-5-10(6-8-11)14-9-15(16(18,19)20)22-13-4-2-1-3-12(13)21-14/h1-8H,9H2
InChIKey PWESNXYMAUZVBE-UHFFFAOYSA-N
Mol Weight 416.53 g/mol
Molecular Formula C16H10BrCl3N2
Exact Mass 413.909294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4l6QJIrCEX
Name 2-TRICHLOROMETHYL-4-(PARA-BROMOPHENYL)-3H-1,5-BENZODIAZEPINE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H10BrCl3N2
InChI InChI=1S/C16H10BrCl3N2/c17-11-7-5-10(6-8-11)14-9-15(16(18,19)20)22-13-4-2-1-3-12(13)21-14/h1-8H,9H2
InChIKey PWESNXYMAUZVBE-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,S.R.T.BITTENCOURT,A.D.WASTOWSKI,A.P.WENTZ,N.ZA NATTA,M.A.P.MARTINS
Literature Reference Citation J.HETCYCL.CHEM.,36,45(1999)
Literature Reference DOI 10.1002/jhet.5570360108
Molecular Weight 416.532 g/mol
Solvent CDCl3
Source File Reference UWSI24685