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SUCCINOBUCOL;4-[2,6-DI-TERT.-BUTYL-4-[[1-[3-TERT.-BUTYL-4-HYDROXY-5-(PROPAN-2-YL)-PHENYL]-SULFANYL]-PHENOXY]-4-OXO-BUTANOIC-ACID

View entire compound with spectra: 1 NMR

SUCCINOBUCOL;4-[2,6-DI-TERT.-BUTYL-4-[[1-[3-TERT.-BUTYL-4-HYDROXY-5-(PROPAN-2-YL)-PHENYL]-SULFANYL]-PHENOXY]-4-OXO-BUTANOIC-ACID
SpectraBase Compound ID PxhD3lXtny
InChI InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
InChIKey RKSMVPNZHBRNNS-UHFFFAOYSA-N
Mol Weight 616.9 g/mol
Molecular Formula C35H52O5S2
Exact Mass 616.325617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TmczJnyR5v
Name SUCCINOBUCOL;4-[2,6-DI-TERT.-BUTYL-4-[[1-[3-TERT.-BUTYL-4-HYDROXY-5-(PROPAN-2-YL)-PHENYL]-SULFANYL]-PHENOXY]-4-OXO-BUTANOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O5S2
InChI InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)
InChIKey RKSMVPNZHBRNNS-UHFFFAOYSA-N
Literature Reference Author O.JURCEK,S.IKONEN,L.BURCICOVA,M.WIMMEROVA,Z.WIMMER,P.DRASAR, J.HORNICEK,A.GALANDA
Literature Reference Citation MOLECULES,16,9404(2011)
Literature Reference DOI 10.3390/molecules16119404
Molecular Weight 616.915 g/mol
Sample ID 373
Solvent CDCl3