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4-HYDROXY-3-(3,7-DIMETHYL-1-OXO)-2(E),6-OCTADIENYLBENZOIC-ACID

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4-HYDROXY-3-(3,7-DIMETHYL-1-OXO)-2(E),6-OCTADIENYLBENZOIC-ACID
SpectraBase Compound ID AQRzTufbsRh
InChI InChI=1S/C17H20O4/c1-11(2)5-4-6-12(3)9-16(19)14-10-13(17(20)21)7-8-15(14)18/h5,7-10,18H,4,6H2,1-3H3,(H,20,21)/b12-9+
InChIKey MPPGIWBJWPIEDY-FMIVXFBMSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4z74nxpnUdK
Name 4-HYDROXY-(3',7'-DIMETHYL-1'-OXO-OCTA-(E)-2',6'-DIENYL)-BENZOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-11(2)5-4-6-12(3)9-16(19)14-10-13(17(20)21)7-8-15(14)18/h5,7-10,18H,4,6H2,1-3H3,(H,20,21)/b12-9+
InChIKey MPPGIWBJWPIEDY-FMIVXFBMSA-N
Literature Reference Author M.C.M.N.PUHL,D.A.G.CORTEZ,T.UEDA-NAKAMURA,B.P.D.FILHO
Literature Reference Citation MOLECULES,16,9925(2011)
Literature Reference DOI 10.3390/molecules16129925
Molecular Weight 288.343 g/mol
Sample ID 454
Solvent CDCl3