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4-Phenyl-1,5-benzoxathiepin-2-one

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4-Phenyl-1,5-benzoxathiepin-2-one
SpectraBase Compound ID 1UpBNnVDbFN
InChI InChI=1S/C15H12O2S/c16-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)17-15/h1-9,14H,10H2
InChIKey INRFTZOTDKIRFR-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 3T0FYqD2YmM
Name 4-PHENYL-1,5-BENZOXATHIEPIN-2-ONE
Compound Number 1A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c16-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)17-15/h1-9,14H,10H2
InChIKey INRFTZOTDKIRFR-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 32709
Solvent CDCl3