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1,1,3,3-TETRAMETHYL-12-PHENYL-5,14,16-TRITHIA-12-TRISPIRO-[3.1.0.4.3.2]-HEXADEC-12-EN-2-ONE
SpectraBase Compound ID E2TCnefcEsd
InChI InChI=1S/C22H27NOS3/c1-18(2)17(24)19(3,4)22(18)25-14-21(27-22)20(12-8-9-13-20)23-16(26-21)15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-14H2,1-4H3/t21-/m1/s1
InChIKey WDEBJGPGEGWNQY-OAQYLSRUSA-N
Mol Weight 417.64 g/mol
Molecular Formula C22H27NOS3
Exact Mass 417.125478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cjGpzjHj7P
Name 1,1,3,3-TETRAMETHYL-12-PHENYL-5,14,16-TRITHIA-12-TRISPIRO-[3.1.0.4.3.2]-HEXADEC-12-EN-2-ONE
Compound Number 14D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NOS3
InChI InChI=1S/C22H27NOS3/c1-18(2)17(24)19(3,4)22(18)25-14-21(27-22)20(12-8-9-13-20)23-16(26-21)15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-14H2,1-4H3/t21-/m1/s1
InChIKey WDEBJGPGEGWNQY-OAQYLSRUSA-N
Literature Reference Author G.MLOSTON,A.LINDEN,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,74,1386(1991)
Literature Reference DOI 10.1002/hlca.19910740703
Molecular Weight 417.642 g/mol
Solvent CDCl3
Source File Reference UWCS21205