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STOWFOJYRXPBLS-LQJQRVQGSA-N
SpectraBase Compound ID 4pz7Q7iX5GJ
InChI InChI=1S/C31H33F3N2O6S/c1-3-16-29(17-15-21-9-6-5-7-10-21)19-26(37)30(39,28(38)42-29)25(4-2)22-11-8-12-24(18-22)36-43(40,41)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,39H,3-4,15-17,19H2,1-2H3/t25-,29+,30-/m0/s1
InChIKey STOWFOJYRXPBLS-LQJQRVQGSA-N
Mol Weight 618.7 g/mol
Molecular Formula C31H33F3N2O6S
Exact Mass 618.201142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4D4FGUoFGUm
Name STOWFOJYRXPBLS-LQJQRVQGSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33F3N2O6S
InChI InChI=1S/C31H33F3N2O6S/c1-3-16-29(17-15-21-9-6-5-7-10-21)19-26(37)30(39,28(38)42-29)25(4-2)22-11-8-12-24(18-22)36-43(40,41)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,39H,3-4,15-17,19H2,1-2H3/t25-,29+,30-/m0/s1
InChIKey STOWFOJYRXPBLS-LQJQRVQGSA-N
Literature Reference Author C.A.BUSACCA,S.CAMPBELL,A.SAHA,J.C.LORENZ,K.GROZINGER,P.J.JON ES,N.GRINBERG,S.SHEN
Literature Reference Citation MAGN.RES.CHEM.,43,1032(2005)
Literature Reference DOI 10.1002/mrc.1672
Molecular Weight 618.668 g/mol
Solvent DMSO
Source File Reference UWLU36502