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(2E,5R,6E)-5-HYDROXY-2-METHYL-7-PHENYL-2,6-HEPTADIENOIC-ACID-METHYLESTER
SpectraBase Compound ID HAiYA2vZf4R
InChI InChI=1S/C15H18O3/c1-12(15(17)18-2)8-10-14(16)11-9-13-6-4-3-5-7-13/h3-9,11,14,16H,10H2,1-2H3/b11-9+,12-8+/t14-/m1/s1
InChIKey XLRQXTASQCWPPW-CDIXQIFUSA-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 LxTnvbtnoqC
Name (2E,5R,6E)-5-HYDROXY-2-METHYL-7-PHENYL-2,6-HEPTADIENOIC-ACID-METHYLESTER
Compound Number 4BB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-12(15(17)18-2)8-10-14(16)11-9-13-6-4-3-5-7-13/h3-9,11,14,16H,10H2,1-2H3/b11-9+,12-8+/t14-/m1/s1
InChIKey XLRQXTASQCWPPW-CDIXQIFUSA-N
Literature Reference Author S.E.DENMARK,G.L.BEUTNER
Literature Reference Citation J.AM.CHEM.SOC.,125,7800(2003)
Literature Reference DOI 10.1021/ja035448p
Molecular Weight 246.306 g/mol
Sample ID 41565
Solvent CDCl3