John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AFEo2dVzLBK SpectraBase Spectrum ID=2Bk6WCxroW8

(accessed ).
SMAOBCMHMAVEJO-GQHWJEKJSA-N
SpectraBase Compound ID AFEo2dVzLBK
InChI InChI=1S/C24H33F3N2OS/c1-5-12-21(22(24(25,26)27)28-31(30)23(2,3)4)29(17-19-13-8-6-9-14-19)18-20-15-10-7-11-16-20/h6-11,13-16,21-22,28H,5,12,17-18H2,1-4H3/t21-,22+,31?/m1/s1
InChIKey SMAOBCMHMAVEJO-GQHWJEKJSA-N
Mol Weight 454.6 g/mol
Molecular Formula C24H33F3N2OS
Exact Mass 454.22657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Bk6WCxroW8
Name SMAOBCMHMAVEJO-GQHWJEKJSA-N
Compound Number 3B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H33F3N2OS
InChI InChI=1S/C24H33F3N2OS/c1-5-12-21(22(24(25,26)27)28-31(30)23(2,3)4)29(17-19-13-8-6-9-14-19)18-20-15-10-7-11-16-20/h6-11,13-16,21-22,28H,5,12,17-18H2,1-4H3/t21-,22+,31?/m1/s1
InChIKey SMAOBCMHMAVEJO-GQHWJEKJSA-N
Literature Reference Author G.K.S.PRAKASH,M.MANDAL
Literature Reference Citation J.AM.CHEM.SOC.,124,6538(2002)
Literature Reference DOI 10.1021/ja020482+
Molecular Weight 454.594 g/mol
Sample ID 49997
Solvent CDCl3
SpectraBase Batch ID 3X8p3kC9fOU