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cis-2,4,6,8-Tetraphenyl-3-aza-7-thiabicyclo-[3.3.1]-nonan-9-on

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cis-2,4,6,8-Tetraphenyl-3-aza-7-thiabicyclo-[3.3.1]-nonan-9-on
SpectraBase Compound ID Dlf4Inum15A
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-/m1/s1
InChIKey XTIQWPHSODCAHT-QGAMJUGNSA-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 FxkHUa1tv6q
Name cis-2,4,6,8-Tetraphenyl-3-aza-7-thiabicyclo-[3.3.1]-nonan-9-on
CAS Registry Number 78737-62-9
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-/m1/s1
InChIKey XTIQWPHSODCAHT-QGAMJUGNSA-N
Literature Reference J. Org. Chem. 46, 4199 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3