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(E)-4-(1,5-DIMETHYL-3-OXO-1-HEXENYL)-BENZOIC-ACID
SpectraBase Compound ID 22de6nQt34z
InChI InChI=1S/C15H18O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)/b11-9+
InChIKey JKZKSWRVCVQDQC-PKNBQFBNSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4Mw5ELtD97
Name (E)-4-(1,5-DIMETHYL-3-OXO-1-HEXENYL)-BENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)/b11-9+
InChIKey JKZKSWRVCVQDQC-PKNBQFBNSA-N
Literature Reference Author L.JAYASINGHE,B.M.M.KUMARIHAMY,K.H.R.N.JAYARATHNA,N.W.M.G.UDI SHANI,B.M.R.BANDARA,
Literature Reference Citation PHYTOCHEM.,62,637(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00623-4
Molecular Weight 246.306 g/mol
Solvent CDCl3
Source File Reference UWVN26893