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2-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN-5-ONE
SpectraBase Compound ID Exa9Oq5ux17
InChI InChI=1S/C15H11ClO2S/c16-11-7-5-10(6-8-11)14-9-18-15(17)12-3-1-2-4-13(12)19-14/h1-8,14H,9H2
InChIKey NSOKKBOCDNEAHZ-UHFFFAOYSA-N
Mol Weight 290.76 g/mol
Molecular Formula C15H11ClO2S
Exact Mass 290.016828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hy4BncDoGCP
Name 2-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN-5-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11ClO2S
InChI InChI=1S/C15H11ClO2S/c16-11-7-5-10(6-8-11)14-9-18-15(17)12-3-1-2-4-13(12)19-14/h1-8,14H,9H2
InChIKey NSOKKBOCDNEAHZ-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 290.764 g/mol
Sample ID 32715
Solvent CDCl3