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4-HYDROXY-3-(3,7,11-TRIMETHYLDODECA-2,6,10-TRIENIL)-BENZOIC-ACID
SpectraBase Compound ID 3lrmfLzre4I
InChI InChI=1S/C22H28O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)13-21(24)19-14-18(22(25)26)11-12-20(19)23/h7,9,11-14,23H,5-6,8,10H2,1-4H3,(H,25,26)/b16-9+,17-13+
InChIKey FAVSUHGEOWFVGN-LRUHSSMMSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qfq9q2pXWL
Name 4-HYDROXY-3-(3,7,11-TRIMETHYLDODECA-2,6,10-TRIENIL)-BENZOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)13-21(24)19-14-18(22(25)26)11-12-20(19)23/h7,9,11-14,23H,5-6,8,10H2,1-4H3,(H,25,26)/b16-9+,17-13+
InChIKey FAVSUHGEOWFVGN-LRUHSSMMSA-N
Literature Reference Author L.N.RAPADO,G.C.FREITAS,A.POLPO,M.ROJAS-CARDOZO,J.V.RINCON,M. T.SCOTTI,M.J.KATO
Literature Reference Citation MOLECULES,19,5205(2014)
Literature Reference DOI 10.3390/molecules19045205
Molecular Weight 356.462 g/mol
Solvent CDCl3
Source File Reference UWBT14568