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2,4,6,8-TETRAPHENYL-3-THIA-7-AZABICYCLO-[3.3.1]-NONAN-9-ONE
SpectraBase Compound ID 1z854fydJPt
InChI InChI=1S/C31H27NOS/c33-29-25-27(21-13-5-1-6-14-21)32-28(22-15-7-2-8-16-22)26(29)31(24-19-11-4-12-20-24)34-30(25)23-17-9-3-10-18-23/h1-20,25-28,30-32H/t25-,26?,27-,28?,30-,31+/m0/s1
InChIKey XTIQWPHSODCAHT-XKNXWURYSA-N
Mol Weight 461.62 g/mol
Molecular Formula C31H27NOS
Exact Mass 461.181336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DgCcVxZhul
Name 2,4,6,8-TETRAPHENYL-3-THIA-7-AZABICYCLO-[3.3.1]-NONAN-9-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27NOS
InChI InChI=1S/C31H27NOS/c33-29-25-27(21-13-5-1-6-14-21)32-28(22-15-7-2-8-16-22)26(29)31(24-19-11-4-12-20-24)34-30(25)23-17-9-3-10-18-23/h1-20,25-28,30-32H/t25-,26?,27-,28?,30-,31+/m0/s1
InChIKey XTIQWPHSODCAHT-XKNXWURYSA-N
Literature Reference Author V.VIJAYAKUMAR,M.SUNDARAVADIVELU
Literature Reference Citation MAGN.RES.CHEM.,43,479(2005)
Literature Reference DOI 10.1002/mrc.1575
Molecular Weight 461.621 g/mol
Solvent CDCl3;0.05M
Source File Reference UWLU36015