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VSHVXIBBACADGQ-SFTDATJTSA-N

View entire compound with spectra: 1 NMR

VSHVXIBBACADGQ-SFTDATJTSA-N
SpectraBase Compound ID IHUMfBBbQ46
InChI InChI=1S/C29H32FN3O10S2/c1-29(2)25(15-4-6-19(7-5-15)45(3,41)42)24(28(40)43-29)16-10-17(30)12-18(11-16)44-14-21(26(37)32-13-23(35)36)33-22(34)9-8-20(31)27(38)39/h4-7,10-12,20-21H,8-9,13-14,31H2,1-3H3,(H,32,37)(H,33,34)(H,35,36)(H,38,39)/t20-,21-/m0/s1
InChIKey VSHVXIBBACADGQ-SFTDATJTSA-N
Mol Weight 665.7 g/mol
Molecular Formula C29H32FN3O10S2
Exact Mass 665.151315 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jqgThgsf7U
Name VSHVXIBBACADGQ-SFTDATJTSA-N
Compound Number M3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32FN3O10S2
InChI InChI=1S/C29H32FN3O10S2/c1-29(2)25(15-4-6-19(7-5-15)45(3,41)42)24(28(40)43-29)16-10-17(30)12-18(11-16)44-14-21(26(37)32-13-23(35)36)33-22(34)9-8-20(31)27(38)39/h4-7,10-12,20-21H,8-9,13-14,31H2,1-3H3,(H,32,37)(H,33,34)(H,35,36)(H,38,39)/t20-,21-/m0/s1
InChIKey VSHVXIBBACADGQ-SFTDATJTSA-N
Literature Reference Author J.A.YERGEY,L.A.TRIMBLE,J.SILVA,N.CHAURET,C.LI,M.THERIEN,E.GR IMM,D.A.NICOLL-GRIFF
Literature Reference Citation DRUG.MET.DISP.,29,638(2001)
Solvent DMSO-D6
Source File Reference UWLU74431