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3-(PARA-BROMOPHENYL)-4,1-BENZOXATHIEPIN
SpectraBase Compound ID LcISmJmL9Ce
InChI InChI=1S/C15H13BrOS/c16-13-7-5-11(6-8-13)14-10-18-15-4-2-1-3-12(15)9-17-14/h1-8,14H,9-10H2
InChIKey AGWMSTBOFSXRFZ-UHFFFAOYSA-N
Mol Weight 321.23 g/mol
Molecular Formula C15H13BrOS
Exact Mass 319.987049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItHzy77HREf
Name 3-(PARA-BROMOPHENYL)-4,1-BENZOXATHIEPIN
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13BrOS
InChI InChI=1S/C15H13BrOS/c16-13-7-5-11(6-8-13)14-10-18-15-4-2-1-3-12(15)9-17-14/h1-8,14H,9-10H2
InChIKey AGWMSTBOFSXRFZ-UHFFFAOYSA-N
Literature Reference Author A.C.GELEBE,P.T.KAYE,R.KLEIN,J.D.SEWRY,A.G.SOPER
Literature Reference Citation MAGN.RES.CHEM.,43,952(2005)
Literature Reference DOI 10.1002/mrc.1649
Molecular Weight 321.232 g/mol
Sample ID 32720
Solvent CDCl3