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TINGENONE
SpectraBase Compound ID A0kDgtdgmri
InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
InChIKey WSTYNZDAOAEEKG-GWJSGULQSA-N
Mol Weight 420.6 g/mol
Molecular Formula C28H36O3
Exact Mass 420.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22Gp4lyVChL
Name TINGENONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O3
InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
InChIKey WSTYNZDAOAEEKG-GWJSGULQSA-N
Literature Reference Author V.G.RODRIGUES,L.P.DUARTE,G.D.F.SILVA,F.C.SILVA,J.V.GOES,J.A. TAKAHASHI
Literature Reference Citation QUIM.NOVA,35,1375(2012)
Literature Reference DOI 10.1590/s0100-40422012000700017
Molecular Weight 420.592 g/mol
Solvent CDCl3
Source File Reference UWIR12523