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cis-2,4,6,8-Tetraphenyl-3-aza-7-thiabicyclo-[3.3.1]-nonan-9-on
SpectraBase Compound ID DpJpDw2Lif
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-YHQRZTGFSA-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 3bmtF3mkjDj
Name CIS-2,4,6,8-TETRAPHENYL-3-AZA-7-THIABICYCLO-[3.3.1]-NONAN-9-ON
CAS Registry Number 78737-62-9
Compound Number 2
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-YHQRZTGFSA-N
Literature Reference Author N.S.PANTALEO,D.VAN-DER-HELM,K.RAMARAJAN,B.R.BAILEY,K.D.BERLI N
Literature Reference Citation J.ORG.CHEM.,46,4199(1981)
Literature Reference DOI 10.1021/jo00334a019
Molecular Weight 461.621 g/mol
Solvent CDCl3
Source File Reference UNIW17391