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3-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN
SpectraBase Compound ID 9s4ufXyXGNQ
InChI InChI=1S/C15H13ClOS/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 JAISMRAJLFARMD-UHFFFAOYSA-N
Mol Weight 276.78 g/mol
Molecular Formula C15H13ClOS
Exact Mass 276.037564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20aKErAKCDN
Name 3-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13ClOS
InChI InChI=1S/C15H13ClOS/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 JAISMRAJLFARMD-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 276.781 g/mol
Sample ID 32721
Solvent CDCl3