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4-(PARA-METHOXYPHENYL)-1,5-BENZOXATHIEPIN-2-ONE
SpectraBase Compound ID D7IQenx7DUI
InChI InChI=1S/C16H14O3S/c1-18-12-8-6-11(7-9-12)15-10-16(17)19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3
InChIKey WJMNIVKPKYPAKZ-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB2rQtxUI9h
Name 4-(PARA-METHOXYPHENYL)-1,5-BENZOXATHIEPIN-2-ONE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c1-18-12-8-6-11(7-9-12)15-10-16(17)19-13-4-2-3-5-14(13)20-15/h2-9,15H,10H2,1H3
InChIKey WJMNIVKPKYPAKZ-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 286.345 g/mol
Sample ID 32713
Solvent CDCl3