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3-PHENYL-4,1-BENZOXATHIEPIN

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3-PHENYL-4,1-BENZOXATHIEPIN
SpectraBase Compound ID BPKnrouNhky
InChI InChI=1S/C15H14OS/c1-2-6-12(7-3-1)14-11-17-15-9-5-4-8-13(15)10-16-14/h1-9,14H,10-11H2
InChIKey YMVSSCVHDWLGPG-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C15H14OS
Exact Mass 242.076536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iyc1B6iNbYf
Name 3-PHENYL-4,1-BENZOXATHIEPIN
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14OS
InChI InChI=1S/C15H14OS/c1-2-6-12(7-3-1)14-11-17-15-9-5-4-8-13(15)10-16-14/h1-9,14H,10-11H2
InChIKey YMVSSCVHDWLGPG-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 242.336 g/mol
Sample ID 32719
Solvent CDCl3