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3-(PARA-BROMOPHENYL)-4,1-BENZOXATHIEPIN-5-ONE
SpectraBase Compound ID BR4RKdm2vFP
InChI InChI=1S/C15H11BrO2S/c16-11-7-5-10(6-8-11)13-9-19-14-4-2-1-3-12(14)15(17)18-13/h1-8,13H,9H2
InChIKey TYBMYPAPMNHSNI-UHFFFAOYSA-N
Mol Weight 335.22 g/mol
Molecular Formula C15H11BrO2S
Exact Mass 333.966314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3TrCCe5rrf
Name 3-(PARA-BROMOPHENYL)-4,1-BENZOXATHIEPIN-5-ONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11BrO2S
InChI InChI=1S/C15H11BrO2S/c16-11-7-5-10(6-8-11)13-9-19-14-4-2-1-3-12(14)15(17)18-13/h1-8,13H,9H2
InChIKey TYBMYPAPMNHSNI-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 335.215 g/mol
Sample ID 32717
Solvent CDCl3