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2-PHENYL-4,1-BENZOXATHIEPIN-5-ONE

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2-PHENYL-4,1-BENZOXATHIEPIN-5-ONE
SpectraBase Compound ID IbKWi7QNt5m
InChI InChI=1S/C15H12O2S/c16-15-12-8-4-5-9-13(12)18-14(10-17-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey CISIBUCKESAJIY-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C15H12O2S
Exact Mass 256.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TGlKYMd22i
Name 2-PHENYL-4,1-BENZOXATHIEPIN-5-ONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c16-15-12-8-4-5-9-13(12)18-14(10-17-15)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey CISIBUCKESAJIY-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 256.319 g/mol
Sample ID 32714
Solvent CDCl3