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IQMKPBFOEWWDIQ-STGLZICKSA-N
SpectraBase Compound ID 813yobPRELG
InChI InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16?,17?,25?,26-/m0/s1
InChIKey IQMKPBFOEWWDIQ-STGLZICKSA-N
Mol Weight 594.62 g/mol
Molecular Formula C29H28F6N4OS
Exact Mass 594.188802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hZkWAIS8md
Name IQMKPBFOEWWDIQ-STGLZICKSA-N
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28F6N4OS
InChI InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16?,17?,25?,26-/m0/s1
InChIKey IQMKPBFOEWWDIQ-STGLZICKSA-N
Literature Reference Author B.VAKULYA,S.VARGA,A.CSAMPAI,T.SOOS
Literature Reference Citation ORG.LETTERS,7,1967(2005)
Literature Reference DOI 10.1021/ol050431s
Molecular Weight 594.618 g/mol
Sample ID 62074
Solvent CD3OD